UCSF

ZINC39301455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 3.07 8.55 -13.3 3 8 0 94 432.528 7
Lo Low (pH 4.5-6) 3.07 10.48 -89.18 5 8 2 96 434.544 7
Lo Low (pH 4.5-6) 3.07 10.84 -46.36 4 8 1 95 433.536 7

Activity (Go SEA)

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