UCSF

ZINC39289823

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 38 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) 5.94 14.71 -12.4 0 5 0 40 507.63 8
Mid Mid (pH 6-8) 5.94 16.99 -47.3 1 5 1 41 508.638 8

Activity (Go SEA)

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