UCSF

ZINC41365471

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) 1.34 2.94 -9.19 1 5 0 54 353.394 5
Lo Low (pH 4.5-6) 1.34 5.23 -42.54 2 5 1 56 354.402 5

Activity (Go SEA)

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