UCSF

ZINC44292710

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 22 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) 2.28 8.15 -86.92 4 5 2 50 308.47 9
Hi High (pH 8-9.5) 2.28 5.72 -41.82 3 5 1 49 307.462 9

Activity (Go SEA)

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