UCSF

ZINC43253375

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) 2.71 6.48 -36.84 3 3 1 40 303.879 5
Hi High (pH 8-9.5) 2.71 4.03 -2.28 2 3 0 38 302.871 5
Mid Mid (pH 6-8) 2.71 6.81 -116.95 4 3 2 41 304.887 5
Mid Mid (pH 6-8) 2.71 4.37 -42.05 3 3 1 40 303.879 5

Activity (Go SEA)

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