UCSF

ZINC44518544

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) 2.78 7.24 -99.37 4 3 2 41 270.461 5
Hi High (pH 8-9.5) 2.78 6.52 -32.74 3 3 1 37 269.453 5

Activity (Go SEA)

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