UCSF

ZINC37828814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.73 5.47 -7.47 0 3 0 24 272.801 4
Mid Mid (pH 6-8) 1.73 7.68 -45.28 1 3 1 25 273.809 4

Activity (Go SEA)

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