UCSF

ZINC31959550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.05 3.73 -58.98 4 5 1 79 312.802 5
Hi High (pH 8-9.5) 2.61 2.6 -13.66 3 5 0 80 311.794 4
Mid Mid (pH 6-8) 1.87 2.66 -44.39 3 5 0 85 311.794 5

Activity (Go SEA)

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