UCSF

ZINC85346379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2013 10 Yes

Other Names:

MFCD00142115

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) -2.99 -3.85 -47.12 7 6 1 121 142.142 0
Mid Mid (pH 6-8) -2.99 -4.32 -15.63 6 6 0 120 141.134 0

Activity (Go SEA)

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

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