UCSF

ZINC33767833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 22 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) 3.29 3.74 -14.2 2 5 0 76 300.31 5
Hi High (pH 8-9.5) 3.29 4.29 -43.89 1 5 -1 79 299.302 5

Activity (Go SEA)

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