UCSF

ZINC01192373

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 23 No

Other Names:

MFCD00396341

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) 4.40 6.23 -11.1 2 5 0 74 413.058 2
Ref Reference (pH 7) 4.40 6.09 -15.81 2 5 0 74 413.058 2
Hi High (pH 8-9.5) 4.86 4.5 -38.02 1 5 -1 77 412.05 2
Hi High (pH 8-9.5) 4.86 4.18 -49.15 1 5 -1 77 412.05 2

Activity (Go SEA)

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