UCSF

ZINC58544207

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.03 10.49 -16.22 0 7 0 76 274.28 3
Mid Mid (pH 6-8) 2.03 10.95 -44.78 1 7 1 77 275.288 3

Activity (Go SEA)

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

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