UCSF

ZINC69950081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 0.60 0.74 -10.1 2 5 0 75 229.305 4
Lo Low (pH 4.5-6) 0.60 1.19 -37.33 3 5 1 76 230.313 4

Activity (Go SEA)

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

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