UCSF

ZINC08820805

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 7.42 12.24 -10.32 1 4 0 54 434.948 5
Mid Mid (pH 6-8) 6.93 12.06 -44.6 0 4 -1 53 433.94 6

Activity (Go SEA)

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