UCSF

ZINC43252207

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) 3.91 8.93 -42.33 3 2 1 30 327.876 6
Hi High (pH 8-9.5) 3.90 7.04 -3.61 2 2 0 29 326.868 6
Mid Mid (pH 6-8) 3.91 9.21 -129.21 4 2 2 32 328.884 6
Mid Mid (pH 6-8) 3.91 7.02 -46.91 3 2 1 31 327.876 6

Activity (Go SEA)

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