UCSF

ZINC21778481

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 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) 2.24 7.76 -8.26 0 6 0 66 323.352 6
Lo Low (pH 4.5-6) 2.24 8.2 -42.6 1 6 1 68 324.36 6

Activity (Go SEA)

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