UCSF

ZINC03217999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 33 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) 3.26 -2.76 -15.46 2 6 0 86 478.492 9
Hi High (pH 8-9.5) 3.26 -2.37 -54.92 1 6 -1 88 477.484 9

Activity (Go SEA)

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