UCSF

ZINC01608332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 3.83 6.62 -51.74 2 5 -1 90 351.463 10
Lo Low (pH 4.5-6) 3.83 4.64 -9.35 3 5 0 87 352.471 10

Activity (Go SEA)

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