UCSF

ZINC69761008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 14 No

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) 1.23 2.48 -5.75 2 3 0 42 229.374 2
Mid Mid (pH 6-8) 1.23 3.25 -30.57 3 3 1 43 230.382 2
Mid Mid (pH 6-8) 1.23 4.54 -32.81 3 3 1 43 230.382 2

Activity (Go SEA)

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

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