UCSF

ZINC32227844

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) 1.86 5.46 -52.69 3 4 1 49 313.421 7
Hi High (pH 8-9.5) 1.86 5.56 -6.45 2 4 0 48 312.413 7
Lo Low (pH 4.5-6) 1.86 7.78 -132.66 4 4 2 51 314.429 7

Activity (Go SEA)

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