UCSF

ZINC05730460

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 Yes

Other Names:

MFCD02368025

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) 3.82 6.75 -12.79 1 4 0 60 282.295 2
Hi High (pH 8-9.5) 3.82 7.52 -43.21 0 4 -1 63 281.287 2

Activity (Go SEA)

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