UCSF

ZINC40038383

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 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) 4.81 10.63 -12.99 2 6 0 84 473.598 5
Lo Low (pH 4.5-6) 4.81 11.1 -42.97 3 6 1 85 474.606 5

Activity (Go SEA)

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