UCSF

ZINC69512662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 0.22 6.76 -31.36 3 6 1 82 243.294 1
Mid Mid (pH 6-8) 0.22 6.31 -8.54 2 6 0 81 242.286 1

Activity (Go SEA)

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

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