UCSF

ZINC20993485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.50 4.89 -33.29 2 4 1 31 346.539 5
Hi High (pH 8-9.5) 2.50 5.14 -38.99 2 4 1 31 346.539 5
Lo Low (pH 4.5-6) 2.50 7.31 -100.77 3 4 2 32 347.547 5

Activity (Go SEA)

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