UCSF

ZINC05857672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 3.87 11.32 -61.55 1 6 -1 87 406.487 5
Mid Mid (pH 6-8) 3.94 9.92 -152.45 0 6 -2 93 405.479 5

Activity (Go SEA)

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