UCSF

ZINC31947422

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) 1.77 7.67 -56.34 2 5 1 55 305.427 3
Hi High (pH 8-9.5) 1.77 6.25 -9.26 1 5 0 50 304.419 3

Activity (Go SEA)

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