UCSF

ZINC37854307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.98 2.06 -8.85 1 4 0 44 240.347 4
Lo Low (pH 4.5-6) 0.98 4.35 -41.55 2 4 1 45 241.355 4

Activity (Go SEA)

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