UCSF

ZINC49278094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 15 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) -0.38 -1.5 -43.81 4 5 1 69 218.321 9
Hi High (pH 8-9.5) -0.38 0.15 -34.55 4 5 1 69 218.321 9

Activity (Go SEA)

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