UCSF

ZINC33795281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 2.10 5.28 -46.92 2 7 1 76 396.924 6
Mid Mid (pH 6-8) 2.10 2.92 -8.9 1 7 0 74 395.916 6

Activity (Go SEA)

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