UCSF

ZINC08448585

Substance Information

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

Other Names:

MFCD01789150

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) 7.55 -2.5 -8.44 3 4 0 68 497.639 4
Lo Low (pH 4.5-6) 7.55 -2.39 -32.27 4 4 1 69 498.647 4

Activity (Go SEA)

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