UCSF

ZINC44684293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.93 4.04 -42.19 3 4 1 49 277.388 6
Hi High (pH 8-9.5) 1.93 2.84 -5.02 2 4 0 45 276.38 6
Lo Low (pH 4.5-6) 1.93 5.25 -34.46 3 4 1 46 277.388 6

Activity (Go SEA)

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