UCSF

ZINC40096193

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 5.00 10.64 -57.8 0 6 -1 79 499.381 7
Lo Low (pH 4.5-6) 5.00 9.89 -12.74 1 6 0 76 500.389 7

Activity (Go SEA)

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