UCSF

ZINC31946852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -0.12 2.41 -108.72 6 6 2 90 312.439 6
Hi High (pH 8-9.5) -0.12 -0.04 -61.08 5 6 1 89 311.431 6

Activity (Go SEA)

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