UCSF

ZINC36743105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.87 2.48 -8.71 3 5 0 85 277.349 3
Hi High (pH 8-9.5) 1.87 2.31 -41.41 2 5 -1 87 276.341 3

Activity (Go SEA)

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