UCSF

ZINC36682131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.61 5.53 -16.32 1 8 0 114 338.323 4
Mid Mid (pH 6-8) 3.67 2.89 -44.65 0 8 -1 120 337.315 4

Activity (Go SEA)

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