UCSF

ZINC20783617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 2.69 5.88 -35.77 2 4 1 37 319.469 6
Mid Mid (pH 6-8) 2.69 5.86 -39.6 2 4 1 37 319.469 6
Mid Mid (pH 6-8) 2.69 3.52 -6.69 1 4 0 36 318.461 6

Activity (Go SEA)

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