UCSF

ZINC44726971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 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) -0.80 -3.43 -37.91 6 6 1 109 218.277 7
Hi High (pH 8-9.5) -0.80 -3.76 -10.86 5 6 0 107 217.269 7

Activity (Go SEA)

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