UCSF

ZINC65734539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 29 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) 2.20 10.44 -39.73 1 7 1 70 405.515 7
Mid Mid (pH 6-8) 2.20 8.34 -18.24 0 7 0 68 404.507 7

Activity (Go SEA)

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