UCSF

ZINC19876123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 0.04 3.73 -55.01 3 5 1 72 252.29 5
Mid Mid (pH 6-8) 0.04 2.45 -13.8 2 5 0 68 251.282 5

Activity (Go SEA)

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