UCSF

ZINC44721325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 1.87 3.98 -30.8 3 3 1 37 239.383 3
Lo Low (pH 4.5-6) 1.87 4.96 -103.51 4 3 2 41 240.391 3
Lo Low (pH 4.5-6) 1.87 2.63 -34.11 3 3 1 40 239.383 3

Activity (Go SEA)

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