UCSF

ZINC31775959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 18 No

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) 1.43 4.49 -56.27 4 4 1 73 284.43 5
Hi High (pH 8-9.5) 1.88 3.32 -73.73 3 4 0 76 283.422 5

Activity (Go SEA)

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