UCSF

ZINC34628168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 37 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) 5.49 15.65 -46.38 1 7 1 70 521.659 9
Hi High (pH 8-9.5) 5.49 13.18 -11.96 0 7 0 68 520.651 9

Activity (Go SEA)

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