UCSF

ZINC49543211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 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) 2.80 5.89 -70.38 1 9 -1 115 451.455 7
Ref Reference (pH 7) 2.61 8.51 -62.73 1 9 -1 111 451.455 7
Lo Low (pH 4.5-6) 2.80 6.97 -55.51 2 9 0 116 452.463 7

Activity (Go SEA)

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

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