UCSF

ZINC41536996

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) 3.55 9.25 -42.77 1 4 -1 69 330.379 5
Lo Low (pH 4.5-6) 3.55 7.3 -8.06 2 4 0 66 331.387 5

Activity (Go SEA)

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