UCSF

ZINC57645277

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 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) -2.81 1.28 -32.35 3 8 0 123 226.192 2
Hi High (pH 8-9.5) -2.35 -0.83 -108.87 1 8 -2 125 224.176 2
Mid Mid (pH 6-8) -2.35 -0.31 -49.49 2 8 -1 126 225.184 2
Mid Mid (pH 6-8) -2.81 0.83 -46.3 2 8 -1 122 225.184 2

Activity (Go SEA)

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