UCSF

ZINC35743931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.68 8.56 -39.87 2 5 1 50 421.627 12
Hi High (pH 8-9.5) 4.68 6.45 -5.52 1 5 0 49 420.619 12
Lo Low (pH 4.5-6) 4.68 10.82 -121.28 3 5 2 51 422.635 12

Activity (Go SEA)

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