UCSF

ZINC43262112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.31 5.07 -29.39 3 3 1 40 334.303 7
Hi High (pH 8-9.5) 2.31 3.13 -1.88 2 3 0 38 333.295 7
Mid Mid (pH 6-8) 2.31 3.44 -42.68 3 3 1 40 334.303 7
Mid Mid (pH 6-8) 2.31 5.34 -106.37 4 3 2 41 335.311 7

Activity (Go SEA)

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