UCSF

ZINC41365334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 21 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) 1.15 2.39 -9.03 1 5 0 54 309.435 5
Lo Low (pH 4.5-6) 1.15 4.68 -42.05 2 5 1 56 310.443 5

Activity (Go SEA)

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