UCSF

ZINC67491156

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 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) 2.68 7.95 -62.35 1 5 -1 72 308.361 5
Mid Mid (pH 6-8) 2.68 8.99 -41.95 2 5 0 73 309.369 5
Mid Mid (pH 6-8) 2.68 9.96 -52.43 2 5 0 73 309.369 5

Activity (Go SEA)

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

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