UCSF

ZINC09030665

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.96 0.24 -17.6 1 6 0 72 339.424 6
Lo Low (pH 4.5-6) 1.96 -0.11 -36.15 2 6 1 73 340.432 6

Activity (Go SEA)

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