UCSF

ZINC22847923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 38 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) 7.77 14.92 -13.69 1 6 0 73 523.658 6
Hi High (pH 8-9.5) 7.95 14.67 -52.66 0 6 -1 79 522.65 6

Activity (Go SEA)

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