UCSF

ZINC64539727

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 22 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) 0.36 8.23 -50.15 3 5 -1 108 302.35 5
Mid Mid (pH 6-8) 0.36 7.22 -34.57 4 5 0 105 303.358 5

Activity (Go SEA)

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

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