UCSF

ZINC66124398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 33 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) 5.48 14.82 -16.18 1 12 0 172 474.499 13
Mid Mid (pH 6-8) 5.48 14.34 -44.66 0 12 -1 171 473.491 13

Activity (Go SEA)

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