UCSF

ZINC68957087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 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) -1.28 0.29 -46.8 3 4 1 63 194.258 2
Mid Mid (pH 6-8) -1.28 0.01 -4.67 2 4 0 61 193.25 2

Activity (Go SEA)

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

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