UCSF

ZINC69926452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 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) 0.81 0.07 -39.22 2 6 1 67 292.359 5
Mid Mid (pH 6-8) 0.81 -2.16 -11.64 1 6 0 66 291.351 5
Mid Mid (pH 6-8) 0.81 0.18 -40.54 2 6 1 67 292.359 5

Activity (Go SEA)

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

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