UCSF

ZINC42477041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.32 2.45 -47.8 4 4 1 70 228.341 3
Hi High (pH 8-9.5) 2.25 1.2 -8.32 3 4 0 71 227.333 2
Mid Mid (pH 6-8) 1.51 0.81 -40.08 3 4 0 76 227.333 3

Activity (Go SEA)

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