UCSF

ZINC21787571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 3.94 11.42 -17.93 0 5 0 47 397.906 6
Mid Mid (pH 6-8) 3.94 11.92 -32.45 1 5 1 49 398.914 6

Activity (Go SEA)

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