UCSF

ZINC20044821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 2.17 5.69 -48 2 2 1 16 219.23 4
Hi High (pH 8-9.5) 2.17 3.16 -5.6 1 2 0 15 218.222 4

Activity (Go SEA)

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