UCSF

ZINC69949568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 27 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) 3.25 9.26 -27.49 2 6 1 78 354.393 2
Mid Mid (pH 6-8) 3.25 8.69 -84.91 3 6 2 79 355.401 2
Mid Mid (pH 6-8) 3.70 8.48 -20.71 1 6 0 81 353.385 2

Activity (Go SEA)

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

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