UCSF

ZINC39228516

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 33 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) 3.10 8.62 -46.61 4 6 1 82 445.587 4
Hi High (pH 8-9.5) 3.10 6.5 -16.84 3 6 0 81 444.579 4
Lo Low (pH 4.5-6) 3.10 8.98 -83.77 5 6 2 84 446.595 4

Activity (Go SEA)

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