UCSF

ZINC37623272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) -0.96 -1.78 -49.48 6 7 1 115 265.293 5
Hi High (pH 8-9.5) -0.96 -2.18 -13.91 5 7 0 113 264.285 5

Activity (Go SEA)

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