UCSF

ZINC69236532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 3.81 8.2 -28.7 3 3 1 42 284.427 4
Hi High (pH 8-9.5) 3.81 7.51 -5.35 2 3 0 41 283.419 4
Mid Mid (pH 6-8) 3.81 8.74 -37.5 3 3 1 45 284.427 4

Activity (Go SEA)

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

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