UCSF

ZINC44722720

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.62 5.57 -36.72 3 4 1 46 274.388 6
Hi High (pH 8-9.5) 1.62 3.23 -6.89 2 4 0 44 273.38 6
Lo Low (pH 4.5-6) 1.62 6.78 -111.05 4 4 2 50 275.396 6

Activity (Go SEA)

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