UCSF

ZINC37843193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.16 4.64 -15.46 1 5 0 66 318.826 7
Hi High (pH 8-9.5) 1.16 4.96 -41.69 0 5 -1 69 317.818 7

Activity (Go SEA)

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