UCSF

ZINC32201078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 2.54 6.61 -57.6 3 4 1 55 306.357 6
Hi High (pH 8-9.5) 2.54 6.28 -10.8 2 4 0 54 305.349 6

Activity (Go SEA)

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