UCSF

ZINC67947928

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 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) 1.48 5.4 -99.04 2 7 0 107 381.479 5
Hi High (pH 8-9.5) 1.48 4.06 -75.42 1 7 -1 102 380.471 5
Mid Mid (pH 6-8) 1.48 6.54 -130.07 3 7 1 108 382.487 5

Activity (Go SEA)

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

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