UCSF

ZINC43248272

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) 1.67 2.83 -26.44 4 3 1 51 269.434 4
Hi High (pH 8-9.5) 1.67 1.16 -2.98 3 3 0 49 268.426 4
Mid Mid (pH 6-8) 1.67 1.48 -40.46 4 3 1 51 269.434 4
Lo Low (pH 4.5-6) 1.67 3.16 -102.28 5 3 2 52 270.442 4

Activity (Go SEA)

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