UCSF

ZINC43437160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 No

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) -0.19 2.02 -11.44 2 7 0 108 255.274 7
Hi High (pH 8-9.5) 0.00 0.68 -45.69 1 7 -1 115 254.266 7

Activity (Go SEA)

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