UCSF

ZINC20213395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) -0.24 2.06 -73.43 2 7 0 96 275.33 6
Hi High (pH 8-9.5) -0.24 1.64 -84.37 1 7 -1 98 274.322 6
Hi High (pH 8-9.5) -0.24 -0.47 -55.17 1 7 -1 94 274.322 6

Activity (Go SEA)

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