UCSF

ZINC39365198

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 3.39 4.21 -9.38 1 5 0 65 276.288 5
Hi High (pH 8-9.5) 3.39 4.96 -49.07 0 5 -1 68 275.28 5

Activity (Go SEA)

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