UCSF

ZINC39325853

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 3.29 4.56 -11.42 3 8 0 115 432.48 6
Lo Low (pH 4.5-6) 3.29 4.97 -49.4 4 8 1 117 433.488 6

Activity (Go SEA)

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