UCSF

ZINC37994759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) -0.62 3.77 -29.99 1 4 0 48 188.271 6
Mid Mid (pH 6-8) -0.62 4.52 -52.48 1 4 0 48 188.271 6
Mid Mid (pH 6-8) -0.62 6.25 -86.37 2 4 1 49 189.279 6

Activity (Go SEA)

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