UCSF

ZINC43418280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.74 7 -41.46 3 4 1 51 286.465 9
Hi High (pH 8-9.5) 0.74 5.5 -10.19 2 4 0 50 285.457 9

Activity (Go SEA)

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