UCSF

ZINC40076854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 6.46 13.5 -55.89 0 6 -1 79 499.027 13
Lo Low (pH 4.5-6) 6.46 12.73 -13.82 1 6 0 76 500.035 13

Activity (Go SEA)

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