UCSF

ZINC35964670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 31 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) 2.06 7.5 -24.77 2 8 0 95 439.903 5
Lo Low (pH 4.5-6) 2.06 7.9 -53.15 3 8 1 96 440.911 5

Activity (Go SEA)

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