UCSF

ZINC19797289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 14 Yes

Other Names:

MFCD09861110

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) 2.30 5.83 -5.4 1 3 0 49 189.262 3
Lo Low (pH 4.5-6) 2.30 6.17 -32.98 2 3 1 50 190.27 3

Activity (Go SEA)

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