UCSF

ZINC26476094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) -1.13 -3.18 -42 3 5 1 53 230.332 4
Mid Mid (pH 6-8) -1.13 -0.79 -92.71 4 5 2 54 231.34 4

Activity (Go SEA)

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