UCSF

ZINC20859560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 4.58 9.15 -15.7 1 3 0 42 294.379 3
Mid Mid (pH 6-8) 4.58 8.72 -42.51 0 3 -1 44 293.371 3

Activity (Go SEA)

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