UCSF

ZINC20189005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 2.07 6.43 -33.84 2 3 1 30 237.367 4
Mid Mid (pH 6-8) 2.07 5.48 -39.43 2 3 1 33 237.367 4
Lo Low (pH 4.5-6) 2.07 7.73 -104.38 3 3 2 34 238.375 4

Activity (Go SEA)

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