UCSF

ZINC43460886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.55 4.25 -34.97 3 4 0 68 303.163 2
Hi High (pH 8-9.5) 2.55 4.33 -9.98 3 4 0 68 303.163 2
Hi High (pH 8-9.5) 2.55 3.93 -37.59 2 4 -1 66 302.155 2
Mid Mid (pH 6-8) 2.55 4.71 -50.5 4 4 1 69 304.171 2

Activity (Go SEA)

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