UCSF

ZINC20898528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 1.49 6.89 -19.06 1 5 0 60 294.358 5
Mid Mid (pH 6-8) 1.49 7.31 -34.75 2 5 1 61 295.366 5
Lo Low (pH 4.5-6) 1.49 7.69 -83.62 3 5 2 62 296.374 5

Activity (Go SEA)

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