UCSF

ZINC09168783

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 25 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) 3.54 8.02 -16.92 2 6 0 80 336.395 6
Hi High (pH 8-9.5) 3.99 7.93 -42.65 1 6 -1 83 335.387 6

Activity (Go SEA)

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