UCSF

ZINC43263107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.65 4.87 -28.73 3 3 1 40 336.319 7
Hi High (pH 8-9.5) 2.65 2.63 -3.54 2 3 0 38 335.311 7
Mid Mid (pH 6-8) 2.65 2.94 -47.15 3 3 1 40 336.319 7
Mid Mid (pH 6-8) 2.65 5.19 -102.9 4 3 2 41 337.327 7

Activity (Go SEA)

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