UCSF

ZINC31959807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 1.40 3.67 -54.97 4 4 1 70 266.321 3
Hi High (pH 8-9.5) 1.22 1.77 -40.7 2 4 -1 74 264.305 3
Mid Mid (pH 6-8) 1.40 3.16 -12.5 3 4 0 68 265.313 3
Mid Mid (pH 6-8) 1.22 2.47 -44.37 3 4 0 76 265.313 3

Activity (Go SEA)

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