UCSF

ZINC04952171

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 23 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) -1.21 3.15 -51.62 2 9 1 96 324.361 5
Mid Mid (pH 6-8) -1.21 3.58 -128.46 3 9 2 97 325.369 5

Activity (Go SEA)

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