UCSF

ZINC35807988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 4.45 10.38 -9.3 1 4 0 45 425.573 9
Lo Low (pH 4.5-6) 4.45 12.19 -55.62 2 4 1 46 426.581 9

Activity (Go SEA)

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