UCSF

ZINC49543164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 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) 3.42 5.72 -68.94 1 8 -1 105 421.429 6
Ref Reference (pH 7) 3.23 8.41 -61.25 1 8 -1 102 421.429 6
Lo Low (pH 4.5-6) 3.42 6.8 -47.78 2 8 0 107 422.437 6

Activity (Go SEA)

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

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