UCSF

ZINC40718566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) -4.09 4.6 -110.4 3 8 -1 129 312.346 6
Hi High (pH 8-9.5) -4.09 4.63 -71.6 3 8 -1 129 312.346 6

Activity (Go SEA)

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