UCSF

ZINC49156972

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 18 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) 2.03 6.74 -7.51 1 3 0 42 244.338 6
Lo Low (pH 4.5-6) 2.03 7.15 -36.02 2 3 1 43 245.346 6

Activity (Go SEA)

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