UCSF

ZINC36222742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 0.73 2.24 -56.09 3 4 1 54 178.215 2
Hi High (pH 8-9.5) 0.73 1.84 -11.21 2 4 0 53 177.207 2

Activity (Go SEA)

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