UCSF

ZINC41719404

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) 1.87 3.44 -49.34 4 6 0 109 259.265 4
Hi High (pH 8-9.5) 1.87 3.02 -66.02 3 6 -1 108 258.257 4

Activity (Go SEA)

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