UCSF

ZINC06750380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 16 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) -0.67 4.85 -21.08 0 7 0 79 222.204 3
Mid Mid (pH 6-8) -0.67 5.31 -41.32 1 7 1 80 223.212 3

Activity (Go SEA)

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

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