UCSF

ZINC57801394

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 28 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) 3.27 9.82 -49.44 2 5 1 59 375.496 5
Lo Low (pH 4.5-6) 3.27 10.28 -97.12 3 5 2 61 376.504 5

Activity (Go SEA)

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