UCSF

ZINC37976789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.77 8.48 -47.31 1 3 0 45 225.263 6
Hi High (pH 8-9.5) 1.77 6.34 -43.42 0 3 -1 43 224.255 6

Activity (Go SEA)

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