UCSF

ZINC41719832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) -0.03 3.53 -54.99 3 6 0 95 259.265 5
Hi High (pH 8-9.5) -0.03 3.1 -42.89 2 6 -1 94 258.257 5

Activity (Go SEA)

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