UCSF

ZINC62962326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 14 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) -0.86 -1.71 -59.52 3 4 1 65 219.33 2
Mid Mid (pH 6-8) -0.86 0.07 -42.99 3 4 1 65 219.33 2
Mid Mid (pH 6-8) -0.86 -2.02 -9.17 2 4 0 63 218.322 2
Lo Low (pH 4.5-6) -0.86 0.34 -142.35 4 4 2 66 220.338 2

Activity (Go SEA)

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

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