UCSF

ZINC08809671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 26 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) 6.11 3.02 -6.73 0 2 0 36 410.873 5
Lo Low (pH 4.5-6) 6.11 3.24 -40.2 1 2 1 37 411.881 5

Activity (Go SEA)

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