UCSF

ZINC62962331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

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) -0.02 -0.28 -11.85 2 4 0 63 246.376 2
Mid Mid (pH 6-8) -0.02 -0.43 -60.14 3 4 1 65 247.384 2
Mid Mid (pH 6-8) -0.02 1.68 -44.37 3 4 1 65 247.384 2
Lo Low (pH 4.5-6) -0.02 1.52 -135.65 4 4 2 66 248.392 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.