UCSF

ZINC25062336

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 22 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) 2.56 8.38 -20.39 1 5 0 60 316.361 3
Hi High (pH 8-9.5) 2.63 7.47 -44.21 0 5 -1 66 315.353 3

Activity (Go SEA)

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