UCSF

ZINC19919076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 1.74 1.4 -6.49 3 4 0 61 325.206 2
Mid Mid (pH 6-8) 1.74 1.42 -9.93 3 4 0 61 325.206 2
Mid Mid (pH 6-8) 1.74 2.49 -45.5 4 4 1 66 326.214 2

Activity (Go SEA)

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