UCSF

ZINC44648897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 2.34 2.73 -48.11 3 5 1 72 262.333 5
Hi High (pH 8-9.5) 2.34 1.38 -10.28 2 5 0 67 261.325 5

Activity (Go SEA)

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