UCSF

ZINC05648420

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 18 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) 2.33 2.13 -37.26 2 7 1 99 240.202 0
Mid Mid (pH 6-8) 2.33 2.8 -40.52 0 7 -1 101 238.186 0
Mid Mid (pH 6-8) 2.33 2.92 -11.07 1 7 0 102 239.194 0

Activity (Go SEA)

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

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