UCSF

ZINC04424283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 31 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) 4.84 11.98 -54.66 2 5 1 56 425.524 11
Hi High (pH 8-9.5) 4.84 9.88 -12.97 1 5 0 55 424.516 11

Activity (Go SEA)

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