UCSF

ZINC22564910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 18 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) 0.17 5.9 -103.89 4 3 2 35 249.402 3
Hi High (pH 8-9.5) 0.17 3.18 -2.44 2 3 0 32 247.386 3
Mid Mid (pH 6-8) 0.17 5.13 -34.86 3 3 1 34 248.394 3
Mid Mid (pH 6-8) 0.17 3.43 -44.31 3 3 1 34 248.394 3

Activity (Go SEA)

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