UCSF

ZINC24893944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.34 2.45 -40.27 3 6 1 75 292.359 6
Mid Mid (pH 6-8) 0.34 1.1 -7.73 2 6 0 71 291.351 6
Mid Mid (pH 6-8) 0.34 3.49 -48.32 3 6 1 72 292.359 6
Lo Low (pH 4.5-6) 0.34 4.84 -126.71 4 6 2 76 293.367 6

Activity (Go SEA)

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