UCSF

ZINC05355740

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 14 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) 3.90 6.83 -5.8 0 1 0 13 185.27 1
Lo Low (pH 4.5-6) 3.90 7.26 -29.61 1 1 1 14 186.278 1

Activity (Go SEA)

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