UCSF

ZINC22517512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 31 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) 3.12 5.09 -25.14 1 7 0 79 437.521 5
Lo Low (pH 4.5-6) 3.12 7.44 -57.14 2 7 1 80 438.529 5

Activity (Go SEA)

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