UCSF

ZINC51519762

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 2.76 8.12 -39.25 2 4 1 42 280.436 10
Mid Mid (pH 6-8) 2.76 8.63 -90.31 3 4 2 43 281.444 10

Activity (Go SEA)

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