UCSF

ZINC44722306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.85 2.39 -30.55 3 3 1 37 199.318 5
Lo Low (pH 4.5-6) 0.85 3.56 -106.14 4 3 2 41 200.326 5
Lo Low (pH 4.5-6) 0.85 1.22 -38.7 3 3 1 40 199.318 5

Activity (Go SEA)

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