UCSF

ZINC42576645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 4.74 6.67 -48.16 3 4 -1 78 249.334 7
Lo Low (pH 4.5-6) 4.74 6.51 -37.87 4 4 0 80 250.342 7
Lo Low (pH 4.5-6) 4.74 6.86 -53.82 4 4 0 83 250.342 7

Activity (Go SEA)

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