UCSF

ZINC36627902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 2.67 7.96 -41.56 2 4 1 57 292.428 3
Mid Mid (pH 6-8) 2.67 5.68 -6.09 1 4 0 56 291.42 3

Activity (Go SEA)

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