UCSF

ZINC47325088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.32 6.22 -7.79 2 5 0 54 393.409 6
Lo Low (pH 4.5-6) 3.32 8.48 -43.5 3 5 1 55 394.417 6

Activity (Go SEA)

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