UCSF

ZINC31891662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 5.06 11.49 -56.96 1 4 0 54 305.418 12
Mid Mid (pH 6-8) 5.06 9.1 -60.45 0 4 -1 53 304.41 12

Activity (Go SEA)

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