UCSF

ZINC32109151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 19 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) 2.05 4 -6.96 2 3 0 45 256.349 5
Lo Low (pH 4.5-6) 2.05 4.44 -38.69 3 3 1 46 257.357 5
Lo Low (pH 4.5-6) 2.05 5.52 -54.95 3 3 1 50 257.357 5

Activity (Go SEA)

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