UCSF

ZINC37459780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 13 Yes

Other Names:

F2147-0633

MFCD16661102

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) -0.06 3.53 -4.66 2 3 0 52 199.637 3
Mid Mid (pH 6-8) -0.06 3.86 -45.9 3 3 1 54 200.645 3

Activity (Go SEA)

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