UCSF

ZINC37049959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.92 2.72 -100.51 5 5 2 70 265.357 6
Hi High (pH 8-9.5) 0.92 0.47 -50.63 4 5 1 69 264.349 6

Activity (Go SEA)

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