UCSF

ZINC19864476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) -0.39 0.09 -42.37 3 6 1 91 271.318 4
Hi High (pH 8-9.5) -0.39 -1.46 -12.88 2 6 0 87 270.31 4

Activity (Go SEA)

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