UCSF

ZINC12395753

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 16 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) 2.78 0.74 -9.8 2 3 0 63 239.25 1
Lo Low (pH 4.5-6) 2.78 0.79 -35.61 3 3 1 64 240.258 1

Activity (Go SEA)

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