UCSF

ZINC49548073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 1.80 4.88 -60.03 1 5 -1 78 260.298 2
Hi High (pH 8-9.5) 2.73 2.95 -15.13 2 5 0 78 261.306 1
Mid Mid (pH 6-8) 2.73 4.56 -37.56 2 5 0 82 261.306 1

Activity (Go SEA)

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

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