UCSF

ZINC41678708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.97 9.51 -37.38 2 4 1 42 312.484 5
Hi High (pH 8-9.5) 2.42 8.36 -47.76 1 4 0 45 311.476 5

Activity (Go SEA)

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