UCSF

ZINC53149683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.22 8.72 -41.56 1 3 1 25 265.352 4
Hi High (pH 8-9.5) 2.22 6.79 -9.23 0 3 0 24 264.344 4

Activity (Go SEA)

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