UCSF

ZINC19607074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.42 6.52 -37.82 1 2 1 8 227.759 5
Hi High (pH 8-9.5) 2.42 4.03 -2.53 0 2 0 6 226.751 5
Mid Mid (pH 6-8) 2.42 6.65 -36.17 1 2 1 8 227.759 5
Lo Low (pH 4.5-6) 2.42 8.83 -111.94 2 2 2 9 228.767 5

Activity (Go SEA)

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