UCSF

ZINC25250640

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 19 Yes

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) 2.79 6.7 -14.3 1 4 0 59 294.763 4
Hi High (pH 8-9.5) 2.98 5.63 -32.67 0 4 -1 65 293.755 4

Activity (Go SEA)

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