UCSF

ZINC33829803

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 29 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) 2.78 7.65 -42.54 2 7 1 78 399.467 3
Mid Mid (pH 6-8) 2.78 5.4 -12.53 1 7 0 77 398.459 3

Activity (Go SEA)

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