UCSF

ZINC40405590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 5.05 12.19 -49.96 1 3 1 22 328.867 6
Hi High (pH 8-9.5) 5.05 10.1 -7.29 0 3 0 21 327.859 6
Lo Low (pH 4.5-6) 5.05 12.69 -93.33 2 3 2 24 329.875 6

Activity (Go SEA)

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