UCSF

ZINC20270211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -0.52 -0.18 -48.68 2 6 1 60 305.468 6
Mid Mid (pH 6-8) -0.52 2.21 -97.56 3 6 2 62 306.476 6
Lo Low (pH 4.5-6) -0.52 4.51 -189.52 4 6 3 63 307.484 6
Lo Low (pH 4.5-6) -0.52 3.11 -97.77 3 6 2 58 306.476 6

Activity (Go SEA)

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