UCSF

ZINC33769331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 20 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) -3.95 -5.61 -61.54 5 9 -1 167 292.264 9
Lo Low (pH 4.5-6) -3.95 -7.58 -20.99 6 9 0 164 293.272 9

Activity (Go SEA)

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