UCSF

ZINC48954387

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 1.66 5.87 -42.94 3 5 1 58 271.344 4
Mid Mid (pH 6-8) 1.66 6.31 -79.24 4 5 2 60 272.352 4

Activity (Go SEA)

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