UCSF

ZINC42207228

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 2.33 7.47 -50.24 1 3 1 37 219.308 5
Mid Mid (pH 6-8) 2.33 5.42 -6.95 0 3 0 36 218.3 5

Activity (Go SEA)

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