UCSF

ZINC05825031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 No

Other Names:

MFCD02029868

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) 2.97 3.64 -17.39 3 6 0 95 317.389 8
Hi High (pH 8-9.5) 3.42 2.02 -45.27 2 6 -1 98 316.381 8
Hi High (pH 8-9.5) 3.42 1.75 -56.83 2 6 -1 98 316.381 8

Activity (Go SEA)

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