UCSF

ZINC43253812

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 4.05 -116.33 5 5 2 70 335.901 9
Hi High (pH 8-9.5) 1.96 1.49 -6.81 3 5 0 68 333.885 9
Mid Mid (pH 6-8) 1.96 3.63 -36.64 4 5 1 69 334.893 9
Mid Mid (pH 6-8) 1.96 1.8 -49.52 4 5 1 69 334.893 9

Activity (Go SEA)

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