UCSF

ZINC65503700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 16 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) 0.54 7.1 -92.33 3 4 2 45 225.336 7
Hi High (pH 8-9.5) 0.54 5.22 -5.55 1 4 0 39 223.32 7
Mid Mid (pH 6-8) 0.54 6.58 -42.8 2 4 1 44 224.328 7

Activity (Go SEA)

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