UCSF

ZINC62602451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 17 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) -1.03 0.17 -58.32 6 7 1 125 253.311 5
Hi High (pH 8-9.5) -1.03 -0.66 -42.47 4 7 -1 122 251.295 5
Hi High (pH 8-9.5) -1.03 -0.08 -15.58 5 7 0 124 252.303 5
Mid Mid (pH 6-8) -1.03 -0.28 -66.71 5 7 0 124 252.303 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.