UCSF

ZINC39133885

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 0.25 -0.65 -7.15 4 4 0 75 155.201 4
Lo Low (pH 4.5-6) 0.25 -0.53 -30.16 5 4 1 76 156.209 4

Activity (Go SEA)

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