UCSF

ZINC20000719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 2.35 5.6 -51.92 2 4 1 54 317.5 5
Hi High (pH 8-9.5) 2.35 4.38 -11.43 1 4 0 49 316.492 5

Activity (Go SEA)

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