UCSF

ZINC37840787

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) -0.32 -0.36 -20.94 3 7 0 113 299.352 3
Hi High (pH 8-9.5) 0.14 -2.66 -56.83 2 7 -1 116 298.344 3

Activity (Go SEA)

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