UCSF

ZINC20202399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.69 3.19 -42.94 2 5 1 54 290.453 4
Mid Mid (pH 6-8) 0.69 1.94 -54.76 2 5 1 57 290.453 4
Lo Low (pH 4.5-6) 0.69 4.36 -122.41 3 5 2 58 291.461 4

Activity (Go SEA)

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