UCSF

ZINC69236390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 2.08 5.12 -30.3 3 4 1 51 258.345 4
Hi High (pH 8-9.5) 2.08 4.43 -7.27 2 4 0 50 257.337 4
Mid Mid (pH 6-8) 2.08 5.79 -43.66 3 4 1 55 258.345 4

Activity (Go SEA)

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

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