UCSF

ZINC40143471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 4.62 10.33 -16.89 1 5 0 54 439.556 6
Lo Low (pH 4.5-6) 4.62 12.6 -56.02 2 5 1 56 440.564 6

Activity (Go SEA)

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