UCSF

ZINC30825730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 24 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) 3.50 9.12 -45.39 2 4 1 37 344.866 4
Mid Mid (pH 6-8) 3.50 6.65 -8.46 1 4 0 36 343.858 4

Activity (Go SEA)

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