UCSF

ZINC49474821

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 13 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) 0.00 2.02 -89.52 5 3 2 44 187.331 5
Hi High (pH 8-9.5) 0.00 1.62 -31.5 4 3 1 42 186.323 5

Activity (Go SEA)

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