UCSF

ZINC41368739

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.32 9.02 -11.56 0 4 0 46 306.365 4
Lo Low (pH 4.5-6) 3.32 9.49 -40.91 1 4 1 48 307.373 4

Activity (Go SEA)

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