UCSF

ZINC57832684

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 16 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) 3.29 6.91 -36.9 2 3 1 34 227.372 6
Hi High (pH 8-9.5) 3.29 4.66 -7.08 1 3 0 32 226.364 6

Activity (Go SEA)

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