UCSF

ZINC04261778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 9 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) -1.58 -0.77 -48.91 5 5 1 95 127.127 0
Mid Mid (pH 6-8) -1.58 -1.25 -16 4 5 0 94 126.119 0

Activity (Go SEA)

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

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