UCSF

ZINC40177241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 3.04 9.23 -43.6 2 2 1 22 229.347 6
Hi High (pH 8-9.5) 3.04 7.87 -4.6 1 2 0 17 228.339 6

Activity (Go SEA)

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