UCSF

ZINC40266352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 22 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) 3.96 6.13 -8.78 1 3 0 45 306.39 2
Ref Reference (pH 7) 3.78 8.41 -9.8 1 3 0 42 306.39 2

Activity (Go SEA)

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