UCSF

ZINC43709310

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -1.39 0.96 -95.88 4 6 2 63 258.366 4
Hi High (pH 8-9.5) -1.39 -2.77 -11.62 2 6 0 57 256.35 4
Mid Mid (pH 6-8) -1.39 0.84 -105.72 4 6 2 63 258.366 4
Mid Mid (pH 6-8) -1.39 -1.42 -54.27 3 6 1 61 257.358 4

Activity (Go SEA)

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