UCSF

ZINC32232971

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.94 9.58 -100.46 3 4 2 40 316.445 9
Hi High (pH 8-9.5) 2.94 5.5 -5.92 1 4 0 34 314.429 9
Hi High (pH 8-9.5) 2.94 8.1 -40.24 2 4 1 35 315.437 9
Hi High (pH 8-9.5) 2.94 6.98 -32.98 2 4 1 38 315.437 9

Activity (Go SEA)

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