UCSF

ZINC36870944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.18 1.04 -51.37 4 4 1 69 175.215 2
Hi High (pH 8-9.5) -0.18 0.65 -10.05 3 4 0 68 174.207 2
Hi High (pH 8-9.5) -0.18 0.65 -8.73 3 4 0 68 174.207 2
Mid Mid (pH 6-8) -0.18 1.04 -49.85 4 4 1 69 175.215 2

Activity (Go SEA)

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