UCSF

ZINC45691927

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.86 7.01 -81.28 3 3 2 21 241.423 6
Hi High (pH 8-9.5) 1.86 5.06 -33.53 2 3 1 20 240.415 6

Activity (Go SEA)

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