UCSF

ZINC36867611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -1.73 -3.68 -50.82 6 7 1 118 184.179 2
Hi High (pH 8-9.5) -1.27 -5.68 -35.72 4 7 -1 120 182.163 2
Mid Mid (pH 6-8) -1.27 -5.36 -60.04 5 7 0 121 183.171 2

Activity (Go SEA)

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

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