UCSF

ZINC23056215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 34 No

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) 3.82 10.43 -28.54 2 7 0 91 474.586 8
Lo Low (pH 4.5-6) 3.82 11.37 -42.95 3 7 1 92 475.594 8

Activity (Go SEA)

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