UCSF

ZINC43411566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

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) -0.46 -0.22 -126.69 4 5 2 75 252.38 4
Hi High (pH 8-9.5) -0.46 -3.3 -10.85 2 5 0 70 250.364 4
Mid Mid (pH 6-8) -0.46 0.32 -77.74 3 5 1 78 251.372 4
Mid Mid (pH 6-8) -0.46 -2.34 -49.18 3 5 1 74 251.372 4
Mid Mid (pH 6-8) -0.46 -1.24 -43.5 3 5 1 71 251.372 4

Activity (Go SEA)

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