UCSF

ZINC33811400

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 3.77 9.28 -10.56 0 4 0 50 378.497 4
Mid Mid (pH 6-8) 3.77 9.73 -45.98 1 4 1 52 379.505 4

Activity (Go SEA)

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