UCSF

ZINC05045380

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.42 1.95 -47.94 2 7 1 84 396.467 8
Lo Low (pH 4.5-6) 1.87 -0.25 -124.29 3 7 2 85 397.475 7

Activity (Go SEA)

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