UCSF

ZINC40405494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 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) 3.36 11.09 -40.59 1 3 1 22 292.834 6
Hi High (pH 8-9.5) 3.36 8.95 -5.97 0 3 0 21 291.826 6
Lo Low (pH 4.5-6) 3.36 11.44 -85.09 2 3 2 24 293.842 6

Activity (Go SEA)

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