UCSF

ZINC04911213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 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) 4.76 9 -11.25 2 5 0 70 382.467 5
Lo Low (pH 4.5-6) 4.69 11.05 -47.8 3 5 1 68 383.475 5
Lo Low (pH 4.5-6) 4.76 9.14 -47.78 3 5 1 72 383.475 5

Activity (Go SEA)

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