UCSF

ZINC33794626

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 24 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) 3.34 4.96 -40.08 3 4 1 49 340.472 3
Mid Mid (pH 6-8) 3.34 2.68 -7.27 2 4 0 48 339.464 3
Lo Low (pH 4.5-6) 3.34 6.57 -86.72 4 4 2 51 341.48 3

Activity (Go SEA)

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