UCSF

ZINC34989980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 No

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) 2.34 4.42 -44.53 3 4 1 62 252.334 7
Hi High (pH 8-9.5) 2.34 3.37 -44.51 1 4 -1 64 250.318 7
Hi High (pH 8-9.5) 2.34 5.35 -61.98 2 4 0 65 251.326 7
Mid Mid (pH 6-8) 2.34 2.44 -11.03 2 4 0 61 251.326 7

Activity (Go SEA)

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