UCSF

ZINC33754268

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 No

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) 3.44 6.51 -11.73 1 4 0 34 336.501 9
Mid Mid (pH 6-8) 3.44 8.78 -50 2 4 1 35 337.509 9

Activity (Go SEA)

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