UCSF

ZINC61292416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 3.37 4.1 -42.89 3 5 1 71 334.252 4
Hi High (pH 8-9.5) 3.56 2.31 -29.32 2 5 0 78 333.244 4

Activity (Go SEA)

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

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