UCSF

ZINC12520563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 3.53 11.17 -19.37 1 7 0 78 392.507 3
Mid Mid (pH 6-8) 3.53 11.6 -32.78 2 7 1 79 393.515 3

Activity (Go SEA)

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