UCSF

ZINC36769635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.73 4.36 -44.56 3 4 1 53 275.372 4
Hi High (pH 8-9.5) 0.73 3.96 -5.8 2 4 0 52 274.364 4
Lo Low (pH 4.5-6) 0.73 6.31 -133.87 4 4 2 54 276.38 4

Activity (Go SEA)

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