UCSF

ZINC44652192

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 2.18 5.3 -45.45 3 5 1 64 276.36 7
Hi High (pH 8-9.5) 2.18 3.62 -7.78 2 5 0 59 275.352 7

Activity (Go SEA)

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