UCSF

ZINC20149951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 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) 3.90 11.71 -78.83 1 7 0 83 466.578 12
Lo Low (pH 4.5-6) 3.90 10.89 -55.21 2 7 1 81 467.586 12

Activity (Go SEA)

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