UCSF

ZINC20121920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) 4.45 10.61 -55.08 2 2 1 40 285.798 4
Mid Mid (pH 6-8) 4.45 9.5 -6.32 1 2 0 36 284.79 4

Activity (Go SEA)

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