UCSF

ZINC39230389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 28 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) 3.59 12.31 -35.01 2 5 1 59 373.48 5
Mid Mid (pH 6-8) 3.59 11.86 -10.34 1 5 0 58 372.472 5
Lo Low (pH 4.5-6) 3.59 12.78 -94.56 3 5 2 61 374.488 5

Activity (Go SEA)

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