UCSF

ZINC74962232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2012 21 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) 2.25 6.31 -11.7 1 4 0 51 284.359 6
Lo Low (pH 4.5-6) 2.25 6.72 -41.49 2 4 1 52 285.367 6

Activity (Go SEA)

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