UCSF

ZINC20549500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 2.36 7.25 -44.89 3 3 1 46 280.432 9
Hi High (pH 8-9.5) 2.36 6.95 -2.73 2 3 0 44 279.424 9

Activity (Go SEA)

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