UCSF

ZINC37002810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 2.33 8.05 -10.9 1 4 0 45 281.787 6
Mid Mid (pH 6-8) 2.33 8.17 -31.78 2 4 1 46 282.795 6

Activity (Go SEA)

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