UCSF

ZINC39679323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 22 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) 3.84 9.25 -42.35 1 4 -1 69 298.362 4
Lo Low (pH 4.5-6) 3.84 7.3 -8.09 2 4 0 66 299.37 4

Activity (Go SEA)

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