UCSF

ZINC62608737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 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) 2.49 8.2 -46.01 2 3 1 42 306.792 3
Hi High (pH 8-9.5) 2.49 6.88 -5.27 1 3 0 38 305.784 3

Activity (Go SEA)

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

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