UCSF

ZINC20128706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.94 7.91 -33.46 2 2 1 16 269.359 6
Hi High (pH 8-9.5) 2.94 5.63 -3.79 1 2 0 15 268.351 6
Mid Mid (pH 6-8) 2.94 9.33 -100.76 3 2 2 21 270.367 6
Mid Mid (pH 6-8) 2.94 7.05 -36.16 2 2 1 20 269.359 6

Activity (Go SEA)

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