UCSF

ZINC42206777

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) -0.78 -1.63 -44.66 3 6 1 67 246.331 8
Hi High (pH 8-9.5) -0.78 -2.99 -9.05 2 6 0 63 245.323 8
Lo Low (pH 4.5-6) -0.78 -0.73 -41.08 3 6 1 64 246.331 8

Activity (Go SEA)

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