UCSF

ZINC42463131

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.47 4.02 -9.09 1 4 0 50 249.31 1
Hi High (pH 8-9.5) 2.47 4.99 -56.4 0 4 -1 53 248.302 1

Activity (Go SEA)

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