UCSF

ZINC37835374

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) -0.51 5.78 -49.4 0 6 -1 81 295.34 4
Lo Low (pH 4.5-6) -0.51 3.81 -15.23 1 6 0 78 296.348 4

Activity (Go SEA)

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