UCSF

ZINC43252475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.28 5.84 -129.38 4 4 2 52 305.875 6
Hi High (pH 8-9.5) 1.28 3.81 -8.21 2 4 0 50 303.859 6
Mid Mid (pH 6-8) 1.28 5.54 -41.08 3 4 1 51 304.867 6
Mid Mid (pH 6-8) 1.28 4.14 -56.45 3 4 1 51 304.867 6

Activity (Go SEA)

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