UCSF

ZINC20036931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 13 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) 3.31 7.41 -37.55 2 1 1 17 198.355 5
Hi High (pH 8-9.5) 3.31 6.02 -2.25 1 1 0 12 197.347 5

Activity (Go SEA)

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