UCSF

ZINC43707934

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -1.17 -0.51 -55.1 3 6 1 67 258.342 5
Hi High (pH 8-9.5) -1.17 -1.86 -11.47 2 6 0 63 257.334 5
Mid Mid (pH 6-8) -1.17 1.77 -106.15 4 6 2 69 259.35 5

Activity (Go SEA)

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