UCSF

ZINC37798642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 Yes

Other Names:

MFCD12769598

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) 0.50 4.17 -48.95 3 3 1 48 213.688 3
Hi High (pH 8-9.5) 0.50 3.77 -9.1 2 3 0 46 212.68 3

Activity (Go SEA)

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