UCSF

ZINC51499444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 26 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) 3.27 10.64 -37.63 1 7 1 71 352.418 4
Hi High (pH 8-9.5) 3.27 9.89 -14.19 0 7 0 70 351.41 4

Activity (Go SEA)

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