UCSF

ZINC43284830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 3.17 8.53 -125.07 4 2 2 32 341.318 5
Hi High (pH 8-9.5) 3.17 6.12 -2.19 2 2 0 29 339.302 5
Mid Mid (pH 6-8) 3.17 6.55 -42.46 3 2 1 31 340.31 5

Activity (Go SEA)

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