UCSF

ZINC06870863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 19 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) 2.91 3.99 -9.16 3 4 0 68 277.393 3
Lo Low (pH 4.5-6) 2.91 4.24 -31.62 4 4 1 69 278.401 3

Activity (Go SEA)

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