UCSF

ZINC32055397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) 0.91 6.85 -65.47 2 5 0 74 286.416 9
Hi High (pH 8-9.5) 0.91 4.66 -54.48 1 5 -1 72 285.408 9

Activity (Go SEA)

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