UCSF

ZINC28899851

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 0.33 5.87 -45.93 2 5 1 54 264.349 6
Hi High (pH 8-9.5) 0.33 3.55 -13.71 1 5 0 53 263.341 6

Activity (Go SEA)

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