UCSF

ZINC04110310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 20 No

Other Names:

MFCD05670661

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) 1.26 0.8 -60.4 1 7 -1 108 294.312 4
Hi High (pH 8-9.5) 1.26 -2.5 -45.14 1 7 -1 107 294.312 4

Activity (Go SEA)

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

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