UCSF

ZINC36991805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.94 9.73 -108.75 3 3 2 45 273.424 4
Hi High (pH 8-9.5) 2.94 8.89 -37.83 2 3 1 40 272.416 4

Activity (Go SEA)

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