UCSF

ZINC43261745

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) 2.84 6.56 -36.63 3 3 1 40 348.33 5
Hi High (pH 8-9.5) 2.84 4.13 -2.23 2 3 0 38 347.322 5
Mid Mid (pH 6-8) 2.84 6.91 -117.29 4 3 2 41 349.338 5
Mid Mid (pH 6-8) 2.84 4.47 -42.14 3 3 1 40 348.33 5

Activity (Go SEA)

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