UCSF

ZINC44966840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 20 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) 1.05 4.43 -12.96 1 6 0 64 279.34 4
Mid Mid (pH 6-8) 1.05 4.78 -38.09 2 6 1 65 280.348 4

Activity (Go SEA)

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