UCSF

ZINC00027007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.68 1.11 -13.75 0 4 0 39 301.349 3
Mid Mid (pH 6-8) 3.68 1.36 -32.48 1 4 1 40 302.357 3
Lo Low (pH 4.5-6) 3.68 1.46 -81.07 2 4 2 41 303.365 3
Lo Low (pH 4.5-6) 3.68 1.22 -43.27 1 4 1 40 302.357 3

Activity (Go SEA)

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