UCSF

ZINC21629065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 1.98 3.92 -56.04 2 6 1 71 340.469 5
Mid Mid (pH 6-8) 1.98 4.81 -17.45 1 6 0 70 339.461 5

Activity (Go SEA)

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