UCSF

ZINC22039403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 2.13 6.92 -48.28 1 6 1 52 321.397 6
Mid Mid (pH 6-8) 2.13 6.65 -45.92 1 6 1 52 321.397 6
Mid Mid (pH 6-8) 2.13 4.6 -9.28 0 6 0 51 320.389 6

Activity (Go SEA)

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