UCSF

ZINC43700019

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.21 8.61 -44.65 3 4 0 71 284.359 7
Hi High (pH 8-9.5) -0.21 6.66 -49.16 2 4 -1 69 283.351 7
Mid Mid (pH 6-8) -0.21 7.08 -32.08 3 4 0 71 284.359 7
Lo Low (pH 4.5-6) -0.21 8.95 -82.98 4 4 1 72 285.367 7

Activity (Go SEA)

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