UCSF

ZINC40767440

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 2.64 4.63 -49.34 2 7 -1 124 437.534 4
Hi High (pH 8-9.5) 2.64 5.69 -115.75 1 7 -2 127 436.526 4

Activity (Go SEA)

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