UCSF

ZINC20881189

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) 3.50 7.65 -58.41 1 5 -1 71 314.361 7
Lo Low (pH 4.5-6) 3.50 6.54 -13.42 2 5 0 68 315.369 7

Activity (Go SEA)

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