UCSF

ZINC65578803

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 24 Yes

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) 2.62 6.35 -14.12 1 6 0 81 324.336 4
Hi High (pH 8-9.5) 3.08 4.53 -48.86 0 6 -1 84 323.328 4

Activity (Go SEA)

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

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