UCSF

ZINC44686351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 Yes

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) 0.71 -0.28 -42.91 5 6 1 97 298.388 4
Hi High (pH 8-9.5) 0.71 -2.62 -9.53 4 6 0 96 297.38 4

Activity (Go SEA)

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