UCSF

ZINC62963284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.77 2.45 -10.32 1 4 0 59 316.492 5
Mid Mid (pH 6-8) 2.77 3.61 -43.01 2 4 1 64 317.5 5
Lo Low (pH 4.5-6) 2.77 4.43 -114.32 3 4 2 65 318.508 5

Activity (Go SEA)

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

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