UCSF

ZINC40507264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 12 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) 0.90 1.49 -35.39 3 3 1 46 176.28 8
Hi High (pH 8-9.5) 0.90 0.14 -3.04 2 3 0 41 175.272 8

Activity (Go SEA)

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