UCSF

ZINC21774813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 2.48 9.45 -51.48 2 4 1 46 324.448 6
Lo Low (pH 4.5-6) 2.48 9.82 -87.31 3 4 2 48 325.456 6

Activity (Go SEA)

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