UCSF

ZINC43411200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 Yes

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) 0.36 5.08 -47.69 2 4 1 38 225.36 6
Hi High (pH 8-9.5) 0.36 5.72 -38.49 2 4 1 34 225.36 6
Hi High (pH 8-9.5) 0.36 3.31 -6.02 1 4 0 33 224.352 6
Mid Mid (pH 6-8) 0.36 7.06 -126.97 3 4 2 39 226.368 6
Mid Mid (pH 6-8) 0.36 5.4 -96.69 3 4 2 39 226.368 6
Mid Mid (pH 6-8) 0.36 7.53 -190.79 4 4 3 40 227.376 6
Mid Mid (pH 6-8) 0.36 6.2 -75.43 3 4 2 36 226.368 6

Activity (Go SEA)

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