UCSF

ZINC61611187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2011 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) 2.03 6.12 -51.1 3 3 1 48 249.378 6
Hi High (pH 8-9.5) 2.03 5.86 -8.23 2 3 0 46 248.37 6

Activity (Go SEA)

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