UCSF

ZINC37037878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -1.00 0.46 -93.03 5 6 2 74 288.436 9
Hi High (pH 8-9.5) -1.00 -2.15 -8.54 3 6 0 71 286.42 9
Mid Mid (pH 6-8) -1.00 0.11 -38.44 4 6 1 72 287.428 9
Mid Mid (pH 6-8) -1.00 0.49 -108.15 5 6 2 74 288.436 9
Mid Mid (pH 6-8) -1.00 -1.78 -47.28 4 6 1 72 287.428 9

Activity (Go SEA)

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