UCSF

ZINC12402233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 36 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) 3.56 10.92 -21.21 3 6 0 99 496.464 2
Hi High (pH 8-9.5) 3.75 9 -72.98 2 6 -1 106 495.456 2

Activity (Go SEA)

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