UCSF

ZINC41076880

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 30 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) 5.73 14.61 -11.45 0 4 0 38 433.964 5
Lo Low (pH 4.5-6) 5.73 15.07 -34.64 1 4 1 39 434.972 5

Activity (Go SEA)

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