UCSF

ZINC17124561

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 34 No

Other Names:

MFCD03663151

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) 2.70 7.61 -64.05 0 8 -1 107 485.582 11
Mid Mid (pH 6-8) 3.14 7.37 -15.62 1 8 0 104 486.59 10

Activity (Go SEA)

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