UCSF

ZINC37811660

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -2.24 0.38 -43.66 3 6 1 77 232.304 6
Hi High (pH 8-9.5) -2.24 0.12 -13.82 2 6 0 76 231.296 6

Activity (Go SEA)

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