UCSF

ZINC31959803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 3.12 6.46 -56.77 4 4 1 70 304.439 4
Mid Mid (pH 6-8) 3.12 6.07 -17.63 3 4 0 68 303.431 4
Mid Mid (pH 6-8) 2.94 5.39 -45.99 3 4 0 76 303.431 4

Activity (Go SEA)

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