UCSF

ZINC43254212

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) 3.06 5.3 -30.61 3 3 1 40 305.895 8
Hi High (pH 8-9.5) 3.06 3.8 -44.83 3 3 1 40 305.895 8
Hi High (pH 8-9.5) 3.06 3.52 -3.2 2 3 0 38 304.887 8
Mid Mid (pH 6-8) 3.06 5.62 -113.08 4 3 2 41 306.903 8

Activity (Go SEA)

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