UCSF

ZINC44518820

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) 2.53 7.41 -79.69 3 3 2 24 269.477 5
Hi High (pH 8-9.5) 2.53 8.07 -92.21 3 3 2 21 269.477 5
Lo Low (pH 4.5-6) 2.53 9.22 -174.22 4 3 3 25 270.485 5

Activity (Go SEA)

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