UCSF

ZINC34951789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 0.75 3.05 -108.34 7 4 2 84 279.428 8
Hi High (pH 8-9.5) 0.75 2.72 -50.46 6 4 1 83 278.42 8

Activity (Go SEA)

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