UCSF

ZINC40392627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 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) 4.15 5.71 -13.17 2 5 0 76 324.332 5
Hi High (pH 8-9.5) 4.15 6.48 -44.53 1 5 -1 79 323.324 5

Activity (Go SEA)

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