UCSF

ZINC31847917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 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) 5.57 13.58 -46.96 1 4 1 35 369.492 5
Hi High (pH 8-9.5) 5.57 11.41 -13.46 0 4 0 34 368.484 5

Activity (Go SEA)

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