UCSF

ZINC40915178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) 2.65 9.29 -63.72 5 8 1 132 447.515 10
Hi High (pH 8-9.5) 2.65 8.84 -11.3 4 8 0 130 446.507 10

Activity (Go SEA)

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