UCSF

ZINC22228875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 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) 3.25 9.56 -12.54 1 5 0 54 361.445 4
Lo Low (pH 4.5-6) 3.25 10.03 -42.66 2 5 1 56 362.453 4

Activity (Go SEA)

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