UCSF

ZINC13136786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 34 Yes

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) 4.27 12.92 -16.29 2 6 0 76 454.574 6
Mid Mid (pH 6-8) 4.27 13.15 -37.85 3 6 1 77 455.582 6

Activity (Go SEA)

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