UCSF

ZINC19677071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 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) -1.39 -0.71 -57.12 3 6 1 85 250.344 4
Hi High (pH 8-9.5) -1.39 -1.09 -15.67 2 6 0 84 249.336 4

Activity (Go SEA)

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