UCSF

ZINC32123072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.86 8.77 -50.02 1 4 1 40 278.372 7
Mid Mid (pH 6-8) 1.86 6.49 -9.64 0 4 0 39 277.364 7

Activity (Go SEA)

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