UCSF

ZINC45650004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.33 5.03 -34.91 2 3 1 29 249.378 5
Hi High (pH 8-9.5) 2.33 6.2 -31.33 2 3 1 26 249.378 5
Hi High (pH 8-9.5) 2.33 3.78 -3.67 1 3 0 24 248.37 5

Activity (Go SEA)

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