UCSF

ZINC34949964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.35 9.25 -11.63 1 6 0 54 431.964 9
Mid Mid (pH 6-8) 4.35 11.52 -56.58 2 6 1 55 432.972 9

Activity (Go SEA)

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