UCSF

ZINC43983725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 4.70 7.32 -36.08 2 2 1 20 295.413 8
Lo Low (pH 4.5-6) 4.70 9.2 -116.93 3 2 2 21 296.421 8

Activity (Go SEA)

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