UCSF

ZINC45662587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.86 3.21 -43.56 3 3 1 40 229.388 3
Lo Low (pH 4.5-6) 1.86 4.64 -115.95 4 3 2 41 230.396 3

Activity (Go SEA)

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