UCSF

ZINC43401100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.52 5.61 -36.45 4 4 1 68 261.374 4
Mid Mid (pH 6-8) 0.52 6.58 -7.07 3 4 0 66 260.366 4
Lo Low (pH 4.5-6) 0.52 6.03 -91.35 5 4 2 69 262.382 4

Activity (Go SEA)

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