UCSF

ZINC05586789

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 16 Yes

Other Names:

MFCD08544011

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) 2.18 4.63 -5.94 1 3 0 34 214.268 4
Lo Low (pH 4.5-6) 2.18 4.91 -32.97 2 3 1 35 215.276 4

Activity (Go SEA)

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