UCSF

ZINC32219365

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.78 3.45 -46.34 4 5 1 75 295.403 7
Hi High (pH 8-9.5) 1.78 2.25 -11.55 3 5 0 71 294.395 7

Activity (Go SEA)

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