UCSF

ZINC20135429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 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) 2.87 11.41 -68.32 1 9 0 124 441.484 10
Lo Low (pH 4.5-6) 2.87 10.59 -48.99 2 9 1 121 442.492 10

Activity (Go SEA)

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