UCSF

ZINC37824775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.86 0.99 -34.62 3 6 1 79 280.348 6
Lo Low (pH 4.5-6) -0.86 1.48 -81.38 4 6 2 81 281.356 6

Activity (Go SEA)

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