UCSF

ZINC39675067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) 2.12 7.51 -60.55 3 7 1 84 418.606 8
Lo Low (pH 4.5-6) 2.12 7.65 -100.13 4 7 2 85 419.614 8

Activity (Go SEA)

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