UCSF

ZINC43445233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.35 2.23 -98.7 5 4 2 56 259.438 8
Hi High (pH 8-9.5) 0.35 0.98 -31.63 4 4 1 54 258.43 8
Hi High (pH 8-9.5) 0.35 -0.11 -42.6 4 4 1 54 258.43 8
Mid Mid (pH 6-8) 0.35 3.28 -109.94 5 4 2 55 259.438 8
Lo Low (pH 4.5-6) 0.35 3.67 -209.04 6 4 3 57 260.446 8

Activity (Go SEA)

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