UCSF

ZINC42433523

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) -0.09 1.64 -110.05 4 3 2 41 174.288 5
Mid Mid (pH 6-8) -0.09 0.29 -32.32 3 3 1 37 173.28 5
Mid Mid (pH 6-8) -0.09 -0.21 -35.38 3 3 1 40 173.28 5

Activity (Go SEA)

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