UCSF

ZINC69236392

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) 3.00 7.15 -28.54 3 3 1 42 256.373 4
Hi High (pH 8-9.5) 3.00 6.43 -5.66 2 3 0 41 255.365 4
Mid Mid (pH 6-8) 3.00 7.78 -41.18 3 3 1 45 256.373 4

Activity (Go SEA)

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

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