UCSF

ZINC37820382

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) -0.08 3.13 -45.37 2 6 1 66 279.364 3
Hi High (pH 8-9.5) -0.08 1.77 -14.03 1 6 0 62 278.356 3

Activity (Go SEA)

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