UCSF

ZINC00002137

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: TERPENE HYDRATE TERPENE HYDRATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/6/2451 12:00:00 AM , 2451-01-6 , 80-53-5 , [80-53-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 0.24 -4.02 2 2 0 40 172.268 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.774 Bitter DB
Melting_Point 114-117? Alfa-Aesar
Melting_Point 114-117° Alfa-Aesar
MP 119 TCI
PUBCHEM_PATENT_ID EP0075771A1; EP0084158A1; EP0211030A1; EP0211030B1; EP0214916A1; EP0214916B1; EP0261017A1; EP0261017B1; EP0275052B1; EP0284088B1; EP0300117B1; EP0309334A1; EP0309334B1; EP0317694B1; EP0319079A1; EP0319079B1; EP0326869A2; EP0326869B1; EP0328466A1; EP032846 IBM Patent Data
Therapy expectorant SMDC Pharmakon

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )