UCSF

ZINC43285990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 4.09 8.16 -45.05 3 2 1 31 368.364 7
Hi High (pH 8-9.5) 4.09 7.8 -2.69 2 2 0 29 367.356 7
Lo Low (pH 4.5-6) 4.09 9.93 -122.89 4 2 2 32 369.372 7

Activity (Go SEA)

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