UCSF

ZINC43242420

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) 1.60 5.56 -27.09 3 3 1 40 269.434 7
Hi High (pH 8-9.5) 1.60 2.97 -3.79 2 3 0 38 268.426 7
Mid Mid (pH 6-8) 1.60 3.29 -43.72 3 3 1 40 269.434 7
Mid Mid (pH 6-8) 1.60 5.87 -107.09 4 3 2 41 270.442 7

Activity (Go SEA)

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