UCSF

ZINC43253817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 1.96 4.09 -116.45 5 5 2 70 335.901 9
Hi High (pH 8-9.5) 1.96 1.56 -6.6 3 5 0 68 333.885 9
Mid Mid (pH 6-8) 1.96 3.76 -38.28 4 5 1 69 334.893 9
Mid Mid (pH 6-8) 1.96 1.88 -49.85 4 5 1 69 334.893 9

Activity (Go SEA)

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