UCSF

ZINC01837903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) 5.13 8.96 -46.67 1 4 -1 60 346.435 3
Ref Reference (pH 7) 5.62 9.07 -9.78 2 4 0 61 347.443 2
Ref Reference (pH 7) 5.62 9.47 -9.8 2 4 0 61 347.443 2

Activity (Go SEA)

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