UCSF

ZINC20200564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 3.05 7.44 -33.93 2 3 1 29 277.432 7
Mid Mid (pH 6-8) 3.05 8.73 -28.75 2 3 1 26 277.432 7
Lo Low (pH 4.5-6) 3.05 9.41 -104.83 3 3 2 30 278.44 7

Activity (Go SEA)

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