UCSF

ZINC36174849

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.00 0.64 -54.8 4 5 1 83 273.378 6
Hi High (pH 8-9.5) 1.00 0.25 -9.49 3 5 0 81 272.37 6

Activity (Go SEA)

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