UCSF

ZINC13120449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 34 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) 0.56 5.97 -55.79 0 9 -1 124 477.522 7
Lo Low (pH 4.5-6) 0.56 5.22 -18.55 1 9 0 121 478.53 7

Activity (Go SEA)

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