UCSF

ZINC12194649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 33 No

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) 5.95 14.22 -9.62 1 6 0 72 467.635 12
Hi High (pH 8-9.5) 6.49 13.15 -42.51 0 6 -1 74 466.627 13

Activity (Go SEA)

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