UCSF

ZINC42390290

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 1.52 7.04 -86.32 3 4 2 38 246.358 4
Hi High (pH 8-9.5) 1.52 6.72 -31.18 2 4 1 34 245.35 4
Mid Mid (pH 6-8) 1.52 6.29 -34.87 2 4 1 37 245.35 4

Activity (Go SEA)

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