UCSF

ZINC48961657

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.70 -4.93 -29.58 3 9 0 138 308.341 4
Hi High (pH 8-9.5) -1.70 -4.66 -51.08 2 9 -1 140 307.333 4

Activity (Go SEA)

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

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