UCSF

ZINC37790744

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.09 6.77 -53.64 2 6 1 68 267.353 8
Hi High (pH 8-9.5) 0.09 4.62 -20.62 1 6 0 67 266.345 8
Hi High (pH 8-9.5) 0.10 5.87 -71.42 2 6 0 74 266.345 8

Activity (Go SEA)

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