UCSF

ZINC37825945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -1.49 -2.98 -44.67 5 8 1 121 273.313 6
Hi High (pH 8-9.5) -1.49 -3.31 -16.11 4 8 0 119 272.305 6
Lo Low (pH 4.5-6) -1.49 -0.83 -105 6 8 2 122 274.321 6

Activity (Go SEA)

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