UCSF

ZINC41071075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 19 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) -0.18 2.05 -16.19 4 8 0 126 280.313 3
Mid Mid (pH 6-8) -0.36 1.6 -45.94 3 8 -1 125 279.305 4
Lo Low (pH 4.5-6) -0.18 2.53 -36.78 5 8 1 127 281.321 3

Activity (Go SEA)

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

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