UCSF

ZINC40448453

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 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) 1.68 4.25 -32.43 2 3 1 43 170.623 0
Hi High (pH 8-9.5) 1.50 3.7 -5.61 1 3 0 38 169.615 0

Activity (Go SEA)

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