UCSF

ZINC09707415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 29 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) 3.81 -3.12 -16.55 1 6 0 81 425.897 4
Hi High (pH 8-9.5) 3.81 -2.54 -48.41 0 6 -1 83 424.889 4

Activity (Go SEA)

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

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