UCSF

ZINC40112114

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 1.99 3.23 -67.89 2 9 -1 138 499.565 7
Lo Low (pH 4.5-6) 1.99 2.47 -23.24 3 9 0 135 500.573 7

Activity (Go SEA)

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