UCSF

ZINC69220761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.77 11.05 -106.26 2 3 2 22 311.901 7
Hi High (pH 8-9.5) 3.77 8.8 -39.13 1 3 1 21 310.893 7

Activity (Go SEA)

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