UCSF

ZINC05464250

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 26 Yes

Other Names:

MFCD04063812

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) 5.12 8.45 -12.97 1 4 0 60 364.319 4
Hi High (pH 8-9.5) 5.12 9.23 -37.47 0 4 -1 63 363.311 4

Activity (Go SEA)

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