UCSF

ZINC35814994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 23 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) 1.75 6.69 -50.22 3 5 1 62 315.372 4
Hi High (pH 8-9.5) 1.75 5.42 -12.54 2 5 0 57 314.364 4
Lo Low (pH 4.5-6) 1.75 7.05 -105.62 4 5 2 63 316.38 4

Activity (Go SEA)

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