UCSF

ZINC41719916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 4.34 8.66 -62.04 2 4 0 66 298.729 3
Hi High (pH 8-9.5) 4.34 8.23 -47.89 1 4 -1 65 297.721 3

Activity (Go SEA)

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