UCSF

ZINC21262072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 4.42 10.37 -8.05 1 4 0 41 401.333 4
Lo Low (pH 4.5-6) 4.42 10.85 -33.48 2 4 1 42 402.341 4

Activity (Go SEA)

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