UCSF

ZINC61326025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 15 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) 0.42 4.22 -42.84 3 2 1 41 237.373 1
Mid Mid (pH 6-8) 0.42 3.86 -8.64 2 2 0 39 236.365 1

Activity (Go SEA)

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

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