UCSF

ZINC21631097

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.36 7.91 -49.6 1 6 1 56 351.43 5
Mid Mid (pH 6-8) 3.36 5.58 -8.84 0 6 0 55 350.422 5

Activity (Go SEA)

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