UCSF

ZINC12788147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 29 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) 4.51 10.04 -22.68 1 8 0 106 411.439 5
Hi High (pH 8-9.5) 4.57 8.82 -44.97 0 8 -1 113 410.431 5

Activity (Go SEA)

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