UCSF

ZINC37818317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.54 -1.12 -48.18 5 7 1 106 281.336 2
Hi High (pH 8-9.5) -0.36 -3.76 -69.13 4 7 0 112 280.328 2

Activity (Go SEA)

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