UCSF

ZINC25384944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 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) 3.45 7.56 -9.87 1 4 0 42 352.478 7
Lo Low (pH 4.5-6) 3.45 9.96 -51.44 2 4 1 43 353.486 7

Activity (Go SEA)

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