UCSF

ZINC62667393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 21 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) 1.52 3.2 -8.34 2 5 0 71 303.215 3
Hi High (pH 8-9.5) 1.71 1.55 -37.85 1 5 -1 77 302.207 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.