UCSF

ZINC37823609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.54 7.44 -44.74 3 4 1 51 310.849 4
Mid Mid (pH 6-8) 2.54 5.23 -6.75 2 4 0 50 309.841 4

Activity (Go SEA)

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