UCSF

ZINC36843317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) 3.45 6.66 -39.4 2 3 1 29 277.432 6
Hi High (pH 8-9.5) 3.45 5.58 -2.95 1 3 0 24 276.424 6
Mid Mid (pH 6-8) 3.45 7.54 -33.08 2 3 1 26 277.432 6
Mid Mid (pH 6-8) 3.45 8.76 -117.91 3 3 2 30 278.44 6

Activity (Go SEA)

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