UCSF

ZINC37851007

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) 0.36 0.79 -44.22 3 5 1 59 275.413 10
Hi High (pH 8-9.5) 0.36 -0.6 -5.67 2 5 0 54 274.405 10
Lo Low (pH 4.5-6) 0.36 3.07 -108.85 4 5 2 60 276.421 10

Activity (Go SEA)

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