UCSF

ZINC33373872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 24 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) 3.78 13.64 -43.08 1 4 1 26 321.448 4
Mid Mid (pH 6-8) 3.78 11.42 -8.43 0 4 0 24 320.44 4
Mid Mid (pH 6-8) 3.78 14.1 -91.1 2 4 2 27 322.456 4

Activity (Go SEA)

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