UCSF

ZINC44685822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.58 8.16 -37.05 2 5 1 62 296.778 5
Hi High (pH 8-9.5) 2.58 5.82 -4.59 1 5 0 61 295.77 5

Activity (Go SEA)

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