UCSF

ZINC32105788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 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) -0.27 0.03 -48.09 3 5 1 74 251.372 5
Hi High (pH 8-9.5) -0.27 -1.46 -10.98 2 5 0 70 250.364 5

Activity (Go SEA)

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