UCSF

ZINC36127145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.43 7.39 -19.81 1 6 0 67 368.359 6
Lo Low (pH 4.5-6) 1.43 7.83 -42.05 2 6 1 68 369.367 6

Activity (Go SEA)

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

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