UCSF

ZINC12546548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 18 Yes

Other Names:

MFCD04839124

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) 2.69 8.62 -13.23 0 4 0 44 276.39 2
Mid Mid (pH 6-8) 2.69 9.01 -29.09 1 4 1 45 277.398 2

Activity (Go SEA)

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