UCSF

ZINC41686712

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) 2.25 9.91 -51.13 1 3 1 26 249.378 6
Hi High (pH 8-9.5) 2.25 7.81 -11.09 0 3 0 25 248.37 6

Activity (Go SEA)

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