UCSF

ZINC40749231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 2.43 7.1 -101.32 4 2 2 32 212.381 5
Mid Mid (pH 6-8) 2.43 4.91 -38.6 3 2 1 31 211.373 5
Mid Mid (pH 6-8) 2.43 7.11 -27.25 3 2 1 30 211.373 5

Activity (Go SEA)

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