UCSF

ZINC20941869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 1.51 7.8 -39.02 2 5 1 58 329.42 6
Hi High (pH 8-9.5) 1.51 5.61 -11.45 1 5 0 57 328.412 6

Activity (Go SEA)

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