UCSF

ZINC31570402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 28 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) 4.37 11.6 -42.54 1 4 1 34 401.958 8
Mid Mid (pH 6-8) 4.37 9.35 -7.06 0 4 0 33 400.95 8
Mid Mid (pH 6-8) 4.37 11.27 -44.69 1 4 1 34 401.958 8

Activity (Go SEA)

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