UCSF

ZINC40053104

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 1.34 4.79 -61.97 1 7 -1 107 377.376 6
Lo Low (pH 4.5-6) 1.34 4.04 -15.09 2 7 0 104 378.384 6
Lo Low (pH 4.5-6) 1.34 4.5 -46.75 3 7 1 105 379.392 6

Activity (Go SEA)

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