UCSF

ZINC12741606

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 27 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) 2.25 4.7 -28.74 2 10 0 147 405.417 6
Hi High (pH 8-9.5) 2.25 4.78 -51 1 10 -1 149 404.409 6
Hi High (pH 8-9.5) 2.31 3.91 -99.45 0 10 -2 155 403.401 6

Activity (Go SEA)

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