UCSF

ZINC32229553

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) 3.46 6.83 -46.82 3 4 1 55 314.405 8
Hi High (pH 8-9.5) 3.46 5.48 -7.34 2 4 0 51 313.397 8

Activity (Go SEA)

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