UCSF

ZINC34675933

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 3.92 12.37 -19.39 1 5 0 62 435.527 8
Lo Low (pH 4.5-6) 3.92 12.84 -50.98 2 5 1 64 436.535 8

Activity (Go SEA)

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