UCSF

ZINC20622520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) -3.13 5.29 -32.85 3 10 1 115 441.512 8
Mid Mid (pH 6-8) -3.13 7.63 -85.66 4 10 2 116 442.52 8

Activity (Go SEA)

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