UCSF

ZINC43608496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 3.08 12.39 -41.25 1 5 1 43 405.566 3
Lo Low (pH 4.5-6) 3.08 12.53 -94.69 2 5 2 44 406.574 3

Activity (Go SEA)

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