UCSF

ZINC37820046

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) 0.78 2.61 -50.48 3 6 1 83 318.463 6
Hi High (pH 8-9.5) 0.78 1.39 -17.61 2 6 0 79 317.455 6

Activity (Go SEA)

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