UCSF

ZINC36161528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 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) 4.27 9.84 -60.76 3 7 1 89 507.076 11
Hi High (pH 8-9.5) 4.27 7.59 -16.31 2 7 0 88 506.068 11
Hi High (pH 8-9.5) 4.73 7.46 -52.91 2 7 0 92 506.068 11

Activity (Go SEA)

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