UCSF

ZINC20128462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.24 1.55 -39.88 3 5 1 49 292.403 5
Hi High (pH 8-9.5) 1.24 1.3 -67.99 2 5 0 55 291.395 5
Mid Mid (pH 6-8) 1.24 2.85 -115.77 4 5 2 54 293.411 5
Mid Mid (pH 6-8) 1.24 0.52 -46.62 3 5 1 53 292.403 5

Activity (Go SEA)

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