UCSF

ZINC52267179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 3.02 5.42 -48.27 1 3 -1 60 201.286 6
Lo Low (pH 4.5-6) 3.02 3.43 -5.87 2 3 0 58 202.294 6

Activity (Go SEA)

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