UCSF

ZINC04097470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 35 No

Popular Name: FDA) FDA)

Find On: PubMed — Wikipedia — Google

CAS Number: 508-99-6

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) 4.13 11.19 -12.55 2 6 0 101 486.649 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0712293A1; EP0740528A1; EP0901793A1; EP0961612A1; EP0979085A1; EP0981333A1; EP0983060A1; EP1023050A1; EP1040829A3; EP1046394A2; US5469854; US5542935; US5580575; US5585112; US5705194; US5715824; US5733572; US5770222; US5837713; US5853752; US5875776; US59 IBM Patent Data

Activity (Go SEA)

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