UCSF

ZINC37110621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.82 11.06 -6.49 0 3 0 21 291.826 5
Mid Mid (pH 6-8) 3.82 11.08 -23.72 1 3 1 22 292.834 5

Activity (Go SEA)

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