UCSF

ZINC00522601

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 3.90 10.64 -16.72 0 6 0 65 333.395 4
Mid Mid (pH 6-8) 3.91 11.2 -30 2 6 1 70 334.403 4

Activity (Go SEA)

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