UCSF

ZINC41536888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 3.12 8.07 -43.34 1 5 -1 78 328.388 5
Lo Low (pH 4.5-6) 3.12 6.12 -8.01 2 5 0 76 329.396 5

Activity (Go SEA)

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