UCSF

ZINC39724193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 23 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) 5.38 9.55 -15.5 1 4 0 55 384.675 3
Mid Mid (pH 6-8) 5.45 7.88 -47.05 0 4 -1 61 383.667 3

Activity (Go SEA)

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