UCSF

ZINC20167605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 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) 3.31 10.11 -58.14 0 9 -1 119 478.525 8
Mid Mid (pH 6-8) 3.31 12.44 -73.34 1 9 0 120 479.533 8

Activity (Go SEA)

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