UCSF

ZINC43448111

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 1.28 6.41 -115.34 4 4 2 52 285.476 8
Hi High (pH 8-9.5) 1.28 6.04 -39.96 3 4 1 51 284.468 8
Mid Mid (pH 6-8) 1.28 4.68 -46.34 3 4 1 51 284.468 8

Activity (Go SEA)

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