UCSF

ZINC21756049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 4.40 6.08 -19.04 1 6 0 84 470.544 5
Hi High (pH 8-9.5) 4.40 6.15 -52.6 0 6 -1 86 469.536 5

Activity (Go SEA)

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