UCSF

ZINC28061596

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 31 No

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) 6.72 14.57 -14.03 0 4 0 38 445.975 5
Lo Low (pH 4.5-6) 6.72 14.89 -28.81 1 4 1 39 446.983 5

Activity (Go SEA)

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