UCSF

ZINC33979875

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 20 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) 4.59 10.17 -22.77 2 3 1 31 272.416 3
Mid Mid (pH 6-8) 4.59 9.73 -8.36 1 3 0 29 271.408 3
Lo Low (pH 4.5-6) 4.59 10.18 -91.33 3 3 2 35 273.424 3

Activity (Go SEA)

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