UCSF

ZINC15016266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 No

Other Names:

MFCD03080538

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) 6.26 9.51 -8.58 1 3 0 45 400.784 3
Ref Reference (pH 7) 6.26 9.93 -8.16 1 3 0 45 400.784 3
Hi High (pH 8-9.5) 6.72 7.5 -47.23 0 3 -1 48 399.776 3
Hi High (pH 8-9.5) 6.72 8.19 -43.65 0 3 -1 48 399.776 3

Activity (Go SEA)

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