UCSF

ZINC13030973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 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) 4.71 12.92 -12.96 1 4 0 47 383.495 6
Lo Low (pH 4.5-6) 4.89 10.16 -27.7 2 4 1 52 384.503 6

Activity (Go SEA)

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