UCSF

ZINC20469681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 14 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) 0.62 1.54 -96.12 4 4 2 50 198.314 3
Hi High (pH 8-9.5) 0.62 1.04 -5.93 2 4 0 47 196.298 3
Hi High (pH 8-9.5) 0.62 1.15 -26.11 3 4 1 48 197.306 3
Mid Mid (pH 6-8) 0.62 1.43 -44.1 3 4 1 49 197.306 3

Activity (Go SEA)

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