UCSF

ZINC37141260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 Yes

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) 1.83 7.16 -35.99 2 3 1 29 242.346 5
Lo Low (pH 4.5-6) 1.83 7.57 -74.99 3 3 2 31 243.354 5

Activity (Go SEA)

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