UCSF

ZINC43259518

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) 2.87 4.16 -42.41 3 2 1 31 292.266 5
Hi High (pH 8-9.5) 2.87 3.36 -2.47 2 2 0 29 291.258 5
Mid Mid (pH 6-8) 2.87 6.12 -31.87 3 2 1 30 292.266 5
Mid Mid (pH 6-8) 2.87 6.51 -113.79 4 2 2 32 293.274 5

Activity (Go SEA)

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