UCSF

ZINC42681336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.35 2.88 -45.02 2 4 1 40 200.306 3
Hi High (pH 8-9.5) -0.35 3.24 -39.1 2 4 1 37 200.306 3
Mid Mid (pH 6-8) -0.35 4.68 -117.76 3 4 2 41 201.314 3

Activity (Go SEA)

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