UCSF

ZINC37808838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 Yes

Other Names:

MFCD12809312

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) 0.99 4.63 -42.02 3 3 1 48 284.177 4
Hi High (pH 8-9.5) 0.99 4.23 -8.68 2 3 0 46 283.169 4

Activity (Go SEA)

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