UCSF

ZINC57305854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 20 Yes

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) 0.70 -0.51 -49.08 2 7 -1 106 298.344 6
Mid Mid (pH 6-8) 0.70 -0.67 -16.22 3 7 0 104 299.352 6

Activity (Go SEA)

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