UCSF

ZINC34234266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 13 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) 1.20 3.1 -116.86 5 2 2 44 178.279 2
Mid Mid (pH 6-8) 1.20 2.71 -39.09 4 2 1 43 177.271 2
Mid Mid (pH 6-8) 1.20 1.64 -44.28 4 2 1 40 177.271 2

Activity (Go SEA)

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