UCSF

ZINC08451205

Substance Information

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

Other Names:

MFCD02326092

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) 7.17 1.14 -9.91 3 4 0 68 507.512 5
Lo Low (pH 4.5-6) 7.17 1.26 -32.9 4 4 1 69 508.52 5

Activity (Go SEA)

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