UCSF

ZINC03831110

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 26 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) 1.97 7.41 -42.59 3 5 1 59 354.474 4
Mid Mid (pH 6-8) 1.97 5.22 -10.99 2 5 0 57 353.466 4

Activity (Go SEA)

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