UCSF

ZINC62846751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 20 No

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) 0.00 5.87 -57.83 1 7 0 91 284.312 4
Hi High (pH 8-9.5) 0.00 3.7 -53.55 0 7 -1 90 283.304 4

Activity (Go SEA)

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

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