UCSF

ZINC69705034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 2.00 2.8 -7.55 2 4 0 47 344.43 6
Mid Mid (pH 6-8) 2.00 5.08 -43.04 3 4 1 48 345.438 6
Mid Mid (pH 6-8) 2.00 5.11 -41.42 3 4 1 48 345.438 6

Activity (Go SEA)

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

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