UCSF

ZINC40169531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 22 No

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) 3.62 8.23 -10.39 1 7 0 97 296.286 4
Hi High (pH 8-9.5) 3.62 8.1 -40.88 0 7 -1 95 295.278 4

Activity (Go SEA)

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