UCSF

ZINC59678637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 28 No

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) 3.39 7.83 -6.12 1 5 0 45 381.52 8
Mid Mid (pH 6-8) 3.39 10.11 -44.67 2 5 1 46 382.528 8

Activity (Go SEA)

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