UCSF

ZINC37840111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.07 1.73 -20.41 1 7 0 91 311.363 3
Hi High (pH 8-9.5) 0.39 -0.31 -50.14 0 7 -1 94 310.355 3

Activity (Go SEA)

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