UCSF

ZINC41076835

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 29 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) 5.69 13.43 -12.42 1 4 0 47 401.535 6
Lo Low (pH 4.5-6) 5.69 13.88 -34.39 2 4 1 48 402.543 6

Activity (Go SEA)

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