UCSF

ZINC44518747

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.78 8.06 -105.67 4 4 2 50 311.857 6
Hi High (pH 8-9.5) 2.78 6.83 -37.1 3 4 1 46 310.849 6

Activity (Go SEA)

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