UCSF

ZINC20881250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 4.06 7.48 -57.61 1 5 -1 71 379.23 6
Lo Low (pH 4.5-6) 4.06 6.37 -13.29 2 5 0 68 380.238 6

Activity (Go SEA)

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