UCSF

ZINC37838429

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.04 1.54 -51.99 1 7 -1 97 296.328 4
Lo Low (pH 4.5-6) -0.04 3.8 -72.36 2 7 0 98 297.336 4

Activity (Go SEA)

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