UCSF

ZINC15066494

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 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) 1.59 5.95 -10.34 0 10 0 103 397.439 5
Lo Low (pH 4.5-6) 1.59 6.22 -39.56 1 10 1 104 398.447 5

Activity (Go SEA)

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