UCSF

ZINC32208449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.70 5.16 -68.46 3 4 1 61 308.764 5
Lo Low (pH 4.5-6) 0.70 5.61 -119.76 4 4 2 62 309.772 5

Activity (Go SEA)

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