UCSF

ZINC13118220

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Other Names:

MFCD05664521

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) 4.83 6.27 -7.96 1 3 0 45 248.285 2
Hi High (pH 8-9.5) 4.83 7.04 -42.69 0 3 -1 48 247.277 2
Hi High (pH 8-9.5) 4.83 5.81 -41.84 0 3 -1 48 247.277 2

Activity (Go SEA)

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