UCSF

ZINC19963852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 15 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) 1.37 2.71 -39.71 3 3 1 46 208.281 4
Hi High (pH 8-9.5) 1.37 3.49 -58.81 2 3 0 49 207.273 4

Activity (Go SEA)

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