UCSF

ZINC04282856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 25 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) 2.77 3.94 -12.9 3 7 0 100 361.785 5
Hi High (pH 8-9.5) 2.77 4.86 -54.31 2 7 -1 103 360.777 5

Activity (Go SEA)

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