UCSF

ZINC42807171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 39 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) 2.85 8.38 -61.81 7 8 1 139 521.597 8
Mid Mid (pH 6-8) 2.85 8.06 -23.06 6 8 0 137 520.589 8

Activity (Go SEA)

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