UCSF

ZINC37290124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 1.22 3.47 -5.63 3 3 0 47 202.257 3
Mid Mid (pH 6-8) 1.22 4.01 -34.93 4 3 1 52 203.265 3
Mid Mid (pH 6-8) 1.22 3.27 -42.54 4 3 1 49 203.265 3

Activity (Go SEA)

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

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