UCSF

ZINC40364317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 34 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) 5.72 12.59 -17.33 2 6 0 84 470.598 8
Hi High (pH 8-9.5) 5.91 10.94 -47.88 1 6 -1 90 469.59 8

Activity (Go SEA)

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