UCSF

ZINC40124636

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 No

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) 0.35 2.49 -56.42 1 7 -1 101 337.311 3
Lo Low (pH 4.5-6) 0.35 1.72 -17.03 2 7 0 98 338.319 3

Activity (Go SEA)

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