UCSF

ZINC41498005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 1.29 8.48 -49.45 2 6 1 63 314.413 5
Lo Low (pH 4.5-6) 1.29 8.95 -79.73 3 6 2 64 315.421 5

Activity (Go SEA)

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