UCSF

ZINC12651875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 23 Yes

Other Names:

MFCD02856517

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) 5.32 9.28 -47.77 0 3 -1 49 321.425 5
Mid Mid (pH 6-8) 4.86 10.39 -10.32 1 3 0 46 322.433 5

Activity (Go SEA)

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