UCSF

ZINC39548387

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 32 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) 2.28 8.08 -18.74 1 8 0 83 434.544 5
Mid Mid (pH 6-8) 2.28 10.23 -63.05 2 8 1 85 435.552 5

Activity (Go SEA)

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