UCSF

ZINC05837927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 27 No

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) 4.78 14.16 -10.17 0 3 0 25 394.565 6
Lo Low (pH 4.5-6) 4.78 14.26 -46.07 1 3 0 26 395.573 6

Activity (Go SEA)

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