UCSF

ZINC05444019

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 25 No

Other Names:

MFCD02045378

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) 3.65 9.76 -54.48 0 4 -1 60 352.797 5
Mid Mid (pH 6-8) 3.07 0.72 -9.06 0 4 0 54 353.805 5
Mid Mid (pH 6-8) 4.10 8.35 -23.93 1 4 0 58 353.805 4

Activity (Go SEA)

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