UCSF

ZINC00553570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.75 5.39 -8.1 2 3 0 45 284.746 3
Hi High (pH 8-9.5) 3.75 6.15 -44.62 1 3 -1 48 283.738 3
Mid Mid (pH 6-8) 3.75 5.89 -30.11 3 3 1 46 285.754 3

Activity (Go SEA)

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