UCSF

ZINC06213777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 23 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) 4.46 7.85 -11.49 1 4 0 59 332.469 6
Hi High (pH 8-9.5) 4.46 7.92 -46.81 0 4 -1 61 331.461 6
Lo Low (pH 4.5-6) 4.46 8.28 -31.99 2 4 1 60 333.477 6

Activity (Go SEA)

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