UCSF

ZINC49548261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 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) 2.03 7.53 -38.98 4 9 1 111 380.432 3
Mid Mid (pH 6-8) 2.03 7.21 -14.19 3 9 0 109 379.424 3

Activity (Go SEA)

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

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