UCSF

ZINC37826948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.99 8.13 -90.38 3 4 2 41 283.46 5
Hi High (pH 8-9.5) 1.99 7.08 -40.86 2 4 1 37 282.452 5

Activity (Go SEA)

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