UCSF

ZINC37007298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 3.02 6.02 -55.6 4 3 1 57 295.834 4
Mid Mid (pH 6-8) 3.02 5.76 -5.82 3 3 0 55 294.826 4

Activity (Go SEA)

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