UCSF

ZINC31933041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.60 13.69 -44.57 1 3 1 22 320.46 3
Mid Mid (pH 6-8) 4.60 12.6 -24.21 1 3 1 22 320.46 3
Mid Mid (pH 6-8) 4.60 12.2 -10.4 0 3 0 21 319.452 3
Mid Mid (pH 6-8) 4.60 14.1 -90.34 2 3 2 23 321.468 3

Activity (Go SEA)

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