UCSF

ZINC34670990

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.24 3.29 -9.18 1 5 0 51 321.417 9
Lo Low (pH 4.5-6) 2.24 5.61 -44.32 2 5 1 52 322.425 9

Activity (Go SEA)

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