UCSF

ZINC48781926

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 23 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) 2.97 8.54 -55.29 3 4 1 55 313.421 8
Hi High (pH 8-9.5) 2.97 7.18 -12.73 2 4 0 50 312.413 8

Activity (Go SEA)

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