UCSF

ZINC35718536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 3.96 8.57 -5.82 1 3 0 33 347.458 8
Mid Mid (pH 6-8) 3.96 10.87 -36.11 2 3 1 34 348.466 8

Activity (Go SEA)

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