UCSF

ZINC43901665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.37 6.15 -36.5 2 3 1 29 303.348 6
Hi High (pH 8-9.5) 3.37 5.36 -3.84 1 3 0 24 302.34 6
Lo Low (pH 4.5-6) 3.37 7.96 -122.84 3 3 2 30 304.356 6

Activity (Go SEA)

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