UCSF

ZINC41367067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 4.00 10.57 -12.66 1 4 0 45 317.392 4
Lo Low (pH 4.5-6) 4.00 11.03 -42.35 2 4 1 46 318.4 4

Activity (Go SEA)

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