UCSF

ZINC70007407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 21 No

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) 1.25 6.81 -15.36 0 5 0 57 287.363 7
Mid Mid (pH 6-8) 1.25 9.47 -43.88 1 5 1 58 288.371 7

Activity (Go SEA)

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

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