UCSF

ZINC21013912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 4.42 10.06 -35.72 2 2 1 20 289.487 6
Mid Mid (pH 6-8) 4.42 10.96 -30.2 2 2 1 16 289.487 6
Lo Low (pH 4.5-6) 4.42 12.03 -110.42 3 2 2 21 290.495 6

Activity (Go SEA)

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