UCSF

ZINC20615244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 35 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) 6.32 7.95 -31.26 2 7 1 107 511.645 6
Hi High (pH 8-9.5) 6.32 7.31 -19.42 1 7 0 106 510.637 6
Hi High (pH 8-9.5) 6.32 8.22 -25.24 1 7 0 109 510.637 6
Hi High (pH 8-9.5) 6.32 8.24 -33.2 1 7 0 109 510.637 6
Hi High (pH 8-9.5) 6.32 7.74 -24.96 1 7 0 106 510.637 6

Activity (Go SEA)

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

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