UCSF

ZINC01238583

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 7 Yes

Popular Name: 3-Methyl-1-pentyn-3-ol 3-Methyl-1-pentyn-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 77-75-8 , [77-75-8]

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) 1.15 1.44 -3.1 1 1 0 20 98.145 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 122 TCI
Therapy hypnotic, sedative SMDC Pharmakon

Activity (Go SEA)

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