UCSF

ZINC32050490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) -1.71 5.36 -85.24 1 6 0 68 283.372 4
Hi High (pH 8-9.5) -1.71 7.63 -121.35 2 6 1 69 284.38 4
Mid Mid (pH 6-8) -1.71 5.22 -65.61 1 6 0 68 283.372 4

Activity (Go SEA)

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