UCSF

ZINC49541804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 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) 2.01 2.75 -15.29 3 7 0 106 313.408 3
Mid Mid (pH 6-8) 1.09 2.21 -50.9 2 7 -1 105 312.4 4
Mid Mid (pH 6-8) 1.09 2.27 -33.36 4 7 1 104 314.416 4

Activity (Go SEA)

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

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