UCSF

ZINC31947338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.25 8.24 -57.07 2 5 1 55 327.433 2
Hi High (pH 8-9.5) 2.25 6.83 -10.24 1 5 0 50 326.425 2

Activity (Go SEA)

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