UCSF

ZINC44518137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 2.15 6.69 -103.1 4 3 2 41 329.282 5
Hi High (pH 8-9.5) 2.15 5.4 -35.18 3 3 1 37 328.274 5

Activity (Go SEA)

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