UCSF

ZINC65314411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 2.97 9.33 -15.25 2 7 0 92 402.252 4
Hi High (pH 8-9.5) 2.98 8.9 -60.6 1 7 -1 95 401.244 5

Activity (Go SEA)

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

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