UCSF

ZINC36669315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 2.89 8.86 -43.7 3 2 1 37 270.396 6
Hi High (pH 8-9.5) 2.89 8.48 -3.97 2 2 0 35 269.388 6

Activity (Go SEA)

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