UCSF

ZINC37808775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Other Names:

MFCD13246913

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) 2.05 6.27 -41.44 3 3 1 48 269.796 5
Hi High (pH 8-9.5) 2.05 5.93 -7.91 2 3 0 46 268.788 5

Activity (Go SEA)

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