UCSF

ZINC37322287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 2.01 5.67 -30.67 2 3 1 26 239.383 3
Lo Low (pH 4.5-6) 2.01 3.69 -33.27 2 3 1 29 239.383 3
Lo Low (pH 4.5-6) 2.01 6.17 -99.99 3 3 2 30 240.391 3

Activity (Go SEA)

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