UCSF

ZINC13427145

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 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) 4.05 11.74 -79.43 1 7 0 83 466.578 11
Mid Mid (pH 6-8) 3.46 11.61 -62.53 1 7 1 77 467.586 11

Activity (Go SEA)

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