UCSF

ZINC59268982

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 12 Yes

Other Names:

MFCD00216581

NA

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) 1.67 5.39 -51.31 0 3 -1 43 170.232 1
Mid Mid (pH 6-8) 1.67 3.44 -6.44 1 3 0 41 171.24 1

Activity (Go SEA)

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

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