UCSF

ZINC19805974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.56 9.46 -28.75 3 2 1 30 299.463 6
Hi High (pH 8-9.5) 3.56 8.83 -8.34 2 2 0 29 298.455 6

Activity (Go SEA)

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