UCSF

ZINC19423282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 Yes

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) 2.07 4.78 -27.33 3 3 1 34 256.458 7
Hi High (pH 8-9.5) 2.07 7.18 -92.58 4 3 2 35 257.466 7
Hi High (pH 8-9.5) 2.07 5.22 -29.37 3 3 1 34 256.458 7
Mid Mid (pH 6-8) 2.07 5.42 -108.4 4 3 2 35 257.466 7
Lo Low (pH 4.5-6) 2.07 4.9 -115.09 4 3 2 35 257.466 7
Lo Low (pH 4.5-6) 2.07 7.29 -215.75 5 3 3 37 258.474 7

Activity (Go SEA)

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