UCSF

ZINC53651489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 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) 2.42 8.64 -110.52 3 2 2 21 212.381 6
Hi High (pH 8-9.5) 2.42 6.73 -34.85 2 2 1 20 211.373 6
Mid Mid (pH 6-8) 2.42 7.35 -27.37 2 2 1 16 211.373 6

Activity (Go SEA)

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