UCSF

ZINC20128738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 2.90 8.13 -110.8 3 3 2 34 303.244 6
Hi High (pH 8-9.5) 2.90 6.71 -36.39 2 3 1 30 302.236 6
Mid Mid (pH 6-8) 2.90 5.85 -44.52 2 3 1 33 302.236 6

Activity (Go SEA)

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