UCSF

ZINC41892215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 11 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) 0.05 5.82 -35.27 1 4 0 59 154.169 2
Mid Mid (pH 6-8) 0.05 5.36 -41.47 0 4 -1 58 153.161 2

Activity (Go SEA)

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