UCSF

ZINC34639863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 3.68 9.72 -57.86 0 3 -1 57 305.438 4
Lo Low (pH 4.5-6) 3.68 7.73 -6.08 1 3 0 54 306.446 4

Activity (Go SEA)

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