UCSF

ZINC49573758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 28 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) 5.85 14.86 -93.36 2 4 2 35 376.548 4
Mid Mid (pH 6-8) 5.85 12.3 -8.01 0 4 0 32 374.532 4
Lo Low (pH 4.5-6) 5.85 14.86 -78.97 2 4 2 35 376.548 4

Activity (Go SEA)

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

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