UCSF

ZINC28088981

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 21 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) -2.73 -3 -106.74 9 8 2 146 301.391 9
Hi High (pH 8-9.5) -2.73 -4.36 -57.91 8 8 1 141 300.383 9

Activity (Go SEA)

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