UCSF

ZINC37140443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) -0.18 0.87 -44.53 5 6 1 89 289.359 4
Mid Mid (pH 6-8) -0.18 -1.33 -13.73 4 6 0 87 288.351 4
Mid Mid (pH 6-8) -0.18 1.94 -106.39 6 6 2 93 290.367 4
Lo Low (pH 4.5-6) -0.18 -0.25 -41.06 5 6 1 92 289.359 4

Activity (Go SEA)

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