UCSF

ZINC19844151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.32 3.43 -113.22 5 5 2 69 264.373 5
Mid Mid (pH 6-8) -1.59 3.37 -34.07 5 5 1 69 263.365 5
Mid Mid (pH 6-8) 1.32 1.07 -39 4 5 1 67 263.365 5

Activity (Go SEA)

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