UCSF

ZINC19876612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.55 6.21 -45.6 2 5 1 61 260.317 3
Mid Mid (pH 6-8) 0.55 6.69 -113.35 3 5 2 62 261.325 3
Mid Mid (pH 6-8) 0.55 5.15 -12.66 1 5 0 56 259.309 3
Mid Mid (pH 6-8) 0.55 5.61 -30.92 2 5 1 57 260.317 3

Activity (Go SEA)

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