UCSF

ZINC62545583

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.41 4.74 -11.93 1 4 0 62 248.307 2
Mid Mid (pH 6-8) 2.24 4.01 -45.52 0 4 -1 61 247.299 3

Activity (Go SEA)

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

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