UCSF

ZINC19851615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 No

Other Names:

MFCD02950098

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) 3.56 7.45 -13.37 2 7 0 119 431.54 6
Lo Low (pH 4.5-6) 3.56 7.31 -51.48 3 7 1 121 432.548 6

Activity (Go SEA)

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