UCSF

ZINC35663345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 1.24 3.51 -107.04 5 4 2 61 241.379 4
Hi High (pH 8-9.5) 1.42 2.07 -35.77 3 4 0 66 239.363 4
Hi High (pH 8-9.5) 1.42 2.35 -44.98 4 4 1 67 240.371 4
Mid Mid (pH 6-8) 1.24 3.16 -36.58 4 4 1 60 240.371 4

Activity (Go SEA)

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