UCSF

ZINC40810721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 32 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) 1.43 4.47 -54.08 4 8 1 110 441.504 6
Hi High (pH 8-9.5) 1.43 2.34 -12.74 3 8 0 108 440.496 6

Activity (Go SEA)

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