UCSF

ZINC37826993

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.31 2.83 -47.61 3 4 1 51 252.382 2
Hi High (pH 8-9.5) 1.31 3.03 -5.41 2 4 0 50 251.374 2
Mid Mid (pH 6-8) 1.31 5.02 -110.05 4 4 2 52 253.39 2

Activity (Go SEA)

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