UCSF

ZINC43800868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 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) -0.41 -0.25 -63.12 4 7 1 101 300.36 4
Hi High (pH 8-9.5) -0.41 -1.54 -48.17 2 7 -1 99 298.344 4
Mid Mid (pH 6-8) -0.41 -0.19 -79.64 3 7 0 103 299.352 4

Activity (Go SEA)

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