UCSF

ZINC20128568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.05 9.05 -83.23 3 3 2 21 277.456 6
Hi High (pH 8-9.5) 2.05 5.73 -38.19 2 3 1 23 276.448 6
Hi High (pH 8-9.5) 2.05 7.34 -32.88 2 3 1 20 276.448 6
Lo Low (pH 4.5-6) 2.05 10.02 -191.34 4 3 3 25 278.464 6

Activity (Go SEA)

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