UCSF

ZINC22116071

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 Yes

Other Names:

MFCD09744005

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) 4.58 6.02 -5.2 1 2 0 29 269.127 3
Hi High (pH 8-9.5) 4.58 6.77 -38.3 0 2 -1 32 268.119 3

Activity (Go SEA)

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