UCSF

ZINC37832757

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 0.39 2.06 -13.66 2 6 0 79 287.747 4
Hi High (pH 8-9.5) 0.58 -0.59 -45.07 1 6 -1 85 286.739 4

Activity (Go SEA)

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