UCSF

ZINC21003546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 4.09 9.32 -65.88 2 6 -1 98 359.446 8
Lo Low (pH 4.5-6) 4.09 8.18 -20.29 3 6 0 95 360.454 8

Activity (Go SEA)

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