UCSF

ZINC01331970

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 Yes

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) 1.80 6.76 -20.88 1 7 0 90 355.423 3
Lo Low (pH 4.5-6) 1.80 6.54 -33.96 2 7 1 91 356.431 3

Activity (Go SEA)

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