UCSF

ZINC19796486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 3.88 8.99 -14.67 1 6 0 72 413.886 4
Hi High (pH 8-9.5) 3.95 8.08 -40.34 0 6 -1 78 412.878 4

Activity (Go SEA)

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