UCSF

ZINC49470289

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 17 Yes

Other Names:

MFCD15731762

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) 3.08 4.73 -107.77 0 5 -2 81 271.059 2
Mid Mid (pH 6-8) 3.08 4 -48.09 1 5 -1 78 272.067 2

Activity (Go SEA)

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