UCSF

ZINC19958116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 36 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) 1.63 6.08 -61.77 0 10 -1 114 499.54 10
Mid Mid (pH 6-8) 1.63 8.42 -76.49 1 10 0 115 500.548 10

Activity (Go SEA)

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