UCSF

ZINC41676213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.54 8.37 -75.49 3 3 2 31 237.391 7
Hi High (pH 8-9.5) 2.54 7.88 -36.67 2 3 1 29 236.383 7

Activity (Go SEA)

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