UCSF

ZINC20088033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.85 6.56 -8.7 1 2 0 25 232.352 5
Mid Mid (pH 6-8) 2.85 6.98 -32.54 2 2 1 26 233.36 5

Activity (Go SEA)

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