UCSF

ZINC06091356

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 13 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) 0.85 0.93 -45.84 2 4 -1 81 181.167 3
Lo Low (pH 4.5-6) 0.85 -1.05 -8.91 3 4 0 78 182.175 3

Activity (Go SEA)

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