UCSF

ZINC62933621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) -0.66 2.21 -44.3 3 8 0 123 254.246 3
Hi High (pH 8-9.5) -0.20 -0.08 -91.53 1 8 -2 125 252.23 3
Mid Mid (pH 6-8) -0.66 1.59 -42.69 2 8 -1 122 253.238 3
Mid Mid (pH 6-8) -0.20 0.6 -56.83 2 8 -1 126 253.238 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.