UCSF

ZINC50054712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 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) 2.51 8.23 -40.54 1 4 1 40 288.314 9
Hi High (pH 8-9.5) 2.51 6.02 -8.01 0 4 0 39 287.306 9

Activity (Go SEA)

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