UCSF

ZINC34824662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 15 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) 0.69 5.65 -38.49 2 4 1 38 209.317 4
Hi High (pH 8-9.5) 0.69 4.33 -24.63 2 4 1 34 209.317 4
Hi High (pH 8-9.5) 0.69 4.2 -4.72 1 4 0 33 208.309 4
Mid Mid (pH 6-8) 0.69 5.78 -91.06 3 4 2 39 210.325 4

Activity (Go SEA)

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