UCSF

ZINC19816626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 32 No

Other Names:

MFCD01243086

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) 5.77 10.47 -10.28 2 4 0 62 461.656 5
Lo Low (pH 4.5-6) 5.77 10.92 -56.21 3 4 1 64 462.664 5

Activity (Go SEA)

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