UCSF

ZINC41678216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.54 7.1 -44.42 1 4 1 38 270.784 6
Hi High (pH 8-9.5) 1.54 4.64 -11.72 0 4 0 36 269.776 6

Activity (Go SEA)

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