UCSF

ZINC42367896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 0.30 7.24 -124.06 3 4 2 39 226.368 8
Hi High (pH 8-9.5) 0.30 3.8 -5.95 1 4 0 33 224.352 8
Hi High (pH 8-9.5) 0.30 5.16 -45.98 2 4 1 38 225.36 8
Mid Mid (pH 6-8) 0.30 5.63 -81.79 3 4 2 39 226.368 8
Lo Low (pH 4.5-6) 0.30 7.72 -188.49 4 4 3 40 227.376 8

Activity (Go SEA)

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