UCSF

ZINC33811823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 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) 3.85 9.14 -48.78 2 4 1 51 371.526 3
Mid Mid (pH 6-8) 3.85 6.76 -9.62 1 4 0 49 370.518 3

Activity (Go SEA)

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