UCSF

ZINC51765946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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) 4.06 10.55 -38.73 1 6 1 69 347.435 3
Hi High (pH 8-9.5) 4.06 8.36 -6.21 0 6 0 68 346.427 3

Activity (Go SEA)

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