UCSF

ZINC44608150

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -2.12 -2.99 -20.32 3 7 0 105 252.226 2
Hi High (pH 8-9.5) -1.66 -5.44 -61.87 2 7 -1 108 251.218 2

Activity (Go SEA)

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