UCSF

ZINC37039709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.46 3.28 -91.14 4 4 2 48 236.363 4
Hi High (pH 8-9.5) -0.46 2.89 -32.76 3 4 1 47 235.355 4

Activity (Go SEA)

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