UCSF

ZINC31898858

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 3.67 9.43 -49.07 3 2 1 37 318.868 6
Hi High (pH 8-9.5) 3.67 9.14 -2.95 2 2 0 35 317.86 6

Activity (Go SEA)

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