UCSF

ZINC32209826

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 1.78 5.06 -62.63 3 4 1 65 309.386 6
Hi High (pH 8-9.5) 1.78 4.68 -11.41 2 4 0 63 308.378 6

Activity (Go SEA)

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