UCSF

ZINC14995091

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 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) 2.36 9.15 -38.85 1 5 1 43 335.468 8
Lo Low (pH 4.5-6) 2.36 10.95 -104.13 2 5 2 44 336.476 8

Activity (Go SEA)

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