UCSF

ZINC20614913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 28 Yes

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) 1.73 7.63 -67.27 0 7 -1 82 395.361 5
Mid Mid (pH 6-8) 1.73 9.91 -92.67 1 7 0 83 396.369 5

Activity (Go SEA)

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