UCSF

ZINC37623262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 18 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) -1.33 -3.37 -49.57 7 7 1 129 251.266 5
Hi High (pH 8-9.5) -1.33 -3.77 -13.58 6 7 0 127 250.258 5

Activity (Go SEA)

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