UCSF

ZINC47304290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 2.30 8.84 -43.7 2 6 1 53 380.516 5
Hi High (pH 8-9.5) 2.30 6.46 -10.73 1 6 0 52 379.508 5
Lo Low (pH 4.5-6) 2.30 9.29 -74.01 3 6 2 54 381.524 5

Activity (Go SEA)

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