UCSF

ZINC39229996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 1.80 8.79 -10.47 1 5 0 57 351.45 4
Lo Low (pH 4.5-6) 1.80 9.11 -34.08 2 5 1 58 352.458 4

Activity (Go SEA)

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