UCSF

ZINC43464329

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 No

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) -0.12 4.11 -22.72 1 3 0 46 180.232 0
Hi High (pH 8-9.5) 0.60 3.83 -48.95 0 3 -1 43 179.224 0
Mid Mid (pH 6-8) -0.12 4.16 -25.3 1 3 0 46 180.232 0

Activity (Go SEA)

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