UCSF

ZINC08445806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 36 Yes

Other Names:

MFCD02049027

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) 6.74 2.5 -14.08 1 6 0 92 514.006 8
Lo Low (pH 4.5-6) 6.74 2.68 -42.9 2 6 1 93 515.014 8

Activity (Go SEA)

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