UCSF

ZINC17167465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 23 No

Other Names:

MFCD02954774

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) 4.35 9.76 -10.32 0 4 0 47 323.421 4
Lo Low (pH 4.5-6) 4.35 10.05 -35.76 1 4 1 49 324.429 4

Activity (Go SEA)

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