UCSF

ZINC40405528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 19 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) 2.38 6.3 -50.46 2 4 1 42 282.795 6
Hi High (pH 8-9.5) 2.38 4.14 -8.89 1 4 0 41 281.787 6
Lo Low (pH 4.5-6) 2.38 6.97 -99.74 3 4 2 44 283.803 6

Activity (Go SEA)

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