UCSF

ZINC28212001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 1.51 7.27 -26.56 2 11 0 133 489.583 9
Hi High (pH 8-9.5) 1.70 6.2 -51.7 1 11 -1 139 488.575 9

Activity (Go SEA)

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