UCSF

ZINC20149625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 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) 4.76 13.18 -76.14 1 6 0 78 446.547 8
Lo Low (pH 4.5-6) 4.76 12.36 -48.23 2 6 1 75 447.555 8

Activity (Go SEA)

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