UCSF

ZINC43232202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 0.21 1.89 -120.44 6 6 2 93 283.42 9
Hi High (pH 8-9.5) 0.21 0.19 -11.23 4 6 0 90 281.404 9
Hi High (pH 8-9.5) 0.21 0.48 -54.92 5 6 1 92 282.412 9
Mid Mid (pH 6-8) 0.21 1.57 -39.97 5 6 1 91 282.412 9

Activity (Go SEA)

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