UCSF

ZINC43411683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.37 4.5 -34.87 2 4 1 40 244.403 7
Hi High (pH 8-9.5) 1.37 2.83 -7.14 1 4 0 36 243.395 7
Mid Mid (pH 6-8) 1.37 5.42 -31.47 2 4 1 37 244.403 7
Lo Low (pH 4.5-6) 1.37 6.51 -105.79 3 4 2 41 245.411 7

Activity (Go SEA)

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