UCSF

ZINC39762546

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 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) 0.93 5.66 -15.61 0 8 0 79 392.481 8
Lo Low (pH 4.5-6) 0.93 7.91 -50.63 1 8 1 80 393.489 8

Activity (Go SEA)

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