UCSF

ZINC32239413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 34 No

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) -0.53 2.31 -96.52 6 10 2 133 490.686 6
Hi High (pH 8-9.5) -0.53 1.93 -14 4 10 0 130 488.67 6
Mid Mid (pH 6-8) -0.53 1.97 -51.14 5 10 1 131 489.678 6

Activity (Go SEA)

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