UCSF

ZINC37263679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 30 No

Other Names:

MFCD00083682

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) 0.93 3.66 -142.3 2 8 -2 147 438.413 4
Mid Mid (pH 6-8) 0.93 2.5 -50.58 3 8 -1 144 439.421 4

Activity (Go SEA)

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