UCSF

ZINC62963276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 1.04 0.62 -11 1 4 0 59 274.411 4
Mid Mid (pH 6-8) 1.04 1.77 -42.81 2 4 1 64 275.419 4
Lo Low (pH 4.5-6) 1.04 2.61 -113.42 3 4 2 65 276.427 4

Activity (Go SEA)

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

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