UCSF

ZINC41475337

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) 2.72 8.32 -8.91 0 6 0 57 317.389 4
Lo Low (pH 4.5-6) 2.72 8.78 -31.85 1 6 1 58 318.397 4

Activity (Go SEA)

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