UCSF

ZINC33828614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 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) 3.55 8.76 -28.98 2 2 1 20 293.434 3
Mid Mid (pH 6-8) 3.55 10.4 -115.19 3 2 2 21 294.442 3

Activity (Go SEA)

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