UCSF

ZINC39749197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 30 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) 4.29 6.13 -22.78 1 7 0 94 399.406 6
Hi High (pH 8-9.5) 4.35 5.27 -57.83 0 7 -1 101 398.398 6

Activity (Go SEA)

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