UCSF

ZINC37871301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) -0.08 3.31 -35.94 2 3 1 40 156.253 5
Hi High (pH 8-9.5) -0.08 0.84 -6.02 1 3 0 39 155.245 5
Lo Low (pH 4.5-6) -0.08 4.51 -112.55 3 3 2 45 157.261 5

Activity (Go SEA)

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