UCSF

ZINC69873265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) 2.03 8.42 -41.1 2 6 1 58 346.499 5
Mid Mid (pH 6-8) 2.03 6.15 -14.79 1 6 0 57 345.491 5
Mid Mid (pH 6-8) 2.03 8.44 -41.7 2 6 1 58 346.499 5

Activity (Go SEA)

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

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