UCSF

ZINC34675357

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.22 12.89 -14.61 1 8 0 79 472.593 5
Lo Low (pH 4.5-6) 4.22 15.12 -63.97 2 8 1 80 473.601 5

Activity (Go SEA)

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