UCSF

ZINC25407873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 No

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) 2.27 4.75 -17.16 2 9 0 109 408.499 9
Mid Mid (pH 6-8) 2.27 6.43 -58.14 3 9 1 110 409.507 9

Activity (Go SEA)

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