UCSF

ZINC40747113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) -3.50 -6.2 -66.69 7 9 0 167 290.272 5
Hi High (pH 8-9.5) -3.50 -6.52 -51.98 6 9 -1 165 289.264 5

Activity (Go SEA)

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