UCSF

ZINC42422743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.17 3.1 -105.73 4 4 2 50 227.352 2
Hi High (pH 8-9.5) 0.17 -0.26 -8.54 2 4 0 44 225.336 2
Mid Mid (pH 6-8) 0.17 1.77 -31.95 3 4 1 46 226.344 2
Mid Mid (pH 6-8) 0.17 1.08 -44.62 3 4 1 49 226.344 2

Activity (Go SEA)

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