UCSF

ZINC25666101

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 19 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) -2.28 3.43 -57.07 5 7 0 126 268.317 7
Hi High (pH 8-9.5) -2.28 2.79 -56.81 4 7 -1 124 267.309 7
Mid Mid (pH 6-8) -2.28 3.28 -116.41 6 7 1 127 269.325 7

Activity (Go SEA)

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

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