UCSF

ZINC34584115

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 2.53 4.48 -98.97 6 2 2 55 238.334 2
Hi High (pH 8-9.5) 2.53 4.06 -49.65 5 2 1 54 237.326 2

Activity (Go SEA)

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