UCSF

ZINC20082196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 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) 1.65 3.11 -62.49 1 9 -1 112 467.498 8
Mid Mid (pH 6-8) 1.65 5.46 -72.8 2 9 0 113 468.506 8

Activity (Go SEA)

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