UCSF

ZINC37800609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.65 1.43 -48.15 3 6 1 71 283.396 3
Hi High (pH 8-9.5) -0.65 1.22 -10.57 2 6 0 70 282.388 3
Mid Mid (pH 6-8) -0.65 3.54 -108.24 4 6 2 73 284.404 3

Activity (Go SEA)

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