UCSF

ZINC34671041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 3.27 5.67 -10.43 1 4 0 42 363.404 7
Lo Low (pH 4.5-6) 3.27 7.99 -52.81 2 4 1 43 364.412 7

Activity (Go SEA)

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