UCSF

ZINC20331715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.63 13.37 -72.34 1 6 0 74 527.459 9
Lo Low (pH 4.5-6) 4.63 12.55 -51.84 2 6 1 71 528.467 9

Activity (Go SEA)

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