UCSF

ZINC62577766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 25 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) 3.38 5.61 -49.17 0 5 -1 74 355.439 6
Lo Low (pH 4.5-6) 3.38 5.44 -16 1 5 0 72 356.447 6

Activity (Go SEA)

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