UCSF

ZINC13545026

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 19 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) -4.33 -0.13 -84.46 5 9 -1 166 269.237 7
Hi High (pH 8-9.5) -4.33 1.41 -103.59 4 9 -2 164 268.229 7
Hi High (pH 8-9.5) -4.33 1.37 -113.69 4 9 -2 164 268.229 7
Mid Mid (pH 6-8) -4.33 0.2 -99.87 6 9 0 167 270.245 7
Mid Mid (pH 6-8) -4.33 1.99 -104.01 5 9 -1 165 269.237 7
Mid Mid (pH 6-8) -4.33 1.74 -71.32 5 9 -1 166 269.237 7

Activity (Go SEA)

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