UCSF

ZINC72266762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 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) 2.60 8.36 -67.65 3 5 0 81 340.423 1
Hi High (pH 8-9.5) 2.60 6.26 -57.49 2 5 -1 79 339.415 1

Activity (Go SEA)

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

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