UCSF

ZINC00603046

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 27 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) 3.65 -2.66 -14.71 2 6 0 80 357.369 3
Mid Mid (pH 6-8) 3.65 -2.46 -35.25 3 6 1 81 358.377 3
Lo Low (pH 4.5-6) 3.65 -2.36 -95.94 4 6 2 82 359.385 3
Lo Low (pH 4.5-6) 3.65 -2.57 -36.38 3 6 1 81 358.377 3

Activity (Go SEA)

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