UCSF

ZINC37835017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.67 -0.1 -61.41 3 8 -1 133 304.348 5
Hi High (pH 8-9.5) -0.67 -0.45 -105.92 2 8 -2 135 303.34 5
Lo Low (pH 4.5-6) -0.67 -2.05 -24.37 4 8 0 130 305.356 5

Activity (Go SEA)

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