UCSF

ZINC43231656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.55 0.82 -117.8 6 6 2 93 269.393 7
Hi High (pH 8-9.5) -0.55 -2.23 -8.41 4 6 0 90 267.377 7
Hi High (pH 8-9.5) -0.55 -1.89 -41.2 5 6 1 92 268.385 7
Mid Mid (pH 6-8) -0.55 0.56 -35.9 5 6 1 91 268.385 7

Activity (Go SEA)

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