UCSF

ZINC00698954

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) 2.99 9.94 -17.36 1 6 0 66 431.536 7
Lo Low (pH 4.5-6) 2.99 11.73 -54.59 2 6 1 67 432.544 7

Activity (Go SEA)

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