UCSF

ZINC43065183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 25 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) 5.74 11.12 -55.17 0 3 -1 49 343.487 6
Lo Low (pH 4.5-6) 5.74 10.55 -6.41 1 3 0 47 344.495 6

Activity (Go SEA)

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