UCSF

ZINC20064810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 31 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) 3.18 7.79 -53.66 0 6 -1 73 488.333 6
Mid Mid (pH 6-8) 3.18 10.14 -68.65 1 6 0 74 489.341 6

Activity (Go SEA)

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