UCSF

ZINC00646678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD05741291

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) 3.69 9.58 -15.11 1 5 0 56 351.45 8
Mid Mid (pH 6-8) 3.69 9.87 -37.62 2 5 1 57 352.458 8

Activity (Go SEA)

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