UCSF

ZINC39894877

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.93 4.82 -132.46 1 7 -2 121 277.232 5
Lo Low (pH 4.5-6) -1.93 2.85 -67.5 2 7 -1 118 278.24 5

Activity (Go SEA)

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