UCSF

ZINC32113082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 No

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) 1.80 3.36 -48.55 5 4 1 76 264.374 4
Hi High (pH 8-9.5) 1.80 2.97 -8.89 4 4 0 74 263.366 4
Hi High (pH 8-9.5) 1.80 3.42 -61.17 4 4 0 73 263.366 4

Activity (Go SEA)

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