UCSF

ZINC42582174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 0.86 4.92 -40.38 3 3 1 40 261.389 4
Hi High (pH 8-9.5) 0.86 4.79 -2.58 2 3 0 38 260.381 4
Mid Mid (pH 6-8) 0.86 6.34 -33.24 3 3 1 40 261.389 4
Mid Mid (pH 6-8) 0.86 6.65 -122.61 4 3 2 41 262.397 4

Activity (Go SEA)

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