UCSF

ZINC43247739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 15 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) 2.29 4.25 -40.06 3 2 1 31 227.397 5
Hi High (pH 8-9.5) 2.29 3.98 -2.27 2 2 0 29 226.389 5
Lo Low (pH 4.5-6) 2.29 6.01 -108.19 4 2 2 32 228.405 5

Activity (Go SEA)

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