UCSF

ZINC39674978

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 0.30 5.99 -74.26 3 10 1 112 500.62 8
Lo Low (pH 4.5-6) 0.30 6.12 -113.79 4 10 2 113 501.628 8

Activity (Go SEA)

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