UCSF

ZINC21826802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.33 12.23 -17.32 1 6 0 65 417.44 3
Lo Low (pH 4.5-6) 4.33 12.64 -39.05 2 6 1 66 418.448 3

Activity (Go SEA)

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