UCSF

ZINC31993219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.54 5.36 -31.14 2 2 1 16 223.384 1
Mid Mid (pH 6-8) 2.54 4.88 -36.42 2 2 1 20 223.384 1
Lo Low (pH 4.5-6) 2.54 6.83 -109.73 3 2 2 21 224.392 1

Activity (Go SEA)

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