UCSF

ZINC02080288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 26 No

Other Names:

MFCD01206716

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) 2.98 6.1 -67.3 1 10 -1 141 373.736 5
Mid Mid (pH 6-8) 2.98 5.1 -27.92 2 10 0 138 374.744 5

Activity (Go SEA)

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

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