UCSF

ZINC26892931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 29 No

Other Names:

MFCD08458218

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) 3.25 10.77 -19.56 2 5 0 73 406.507 6
Mid Mid (pH 6-8) 3.25 11.08 -62.16 3 5 1 74 407.515 6

Activity (Go SEA)

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