UCSF

ZINC37239890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -1.32 -0.41 -42.02 3 6 1 70 274.385 8
Hi High (pH 8-9.5) -1.32 -1.68 -12.8 2 6 0 65 273.377 8
Lo Low (pH 4.5-6) -1.31 1.78 -105.55 4 6 2 71 275.393 8

Activity (Go SEA)

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