UCSF

ZINC44623531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -0.81 7.2 -36.3 1 6 0 82 282.34 5
Hi High (pH 8-9.5) -0.81 5.28 -46.71 0 6 -1 81 281.332 5

Activity (Go SEA)

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