UCSF

ZINC37420398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 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) -2.78 -1.44 -54.02 3 9 -1 152 290.277 5
Mid Mid (pH 6-8) -2.33 -3.4 -92.34 2 9 -2 155 289.269 5

Activity (Go SEA)

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