UCSF

ZINC52163212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 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) 2.68 7.03 -42.11 2 3 1 34 269.796 6
Hi High (pH 8-9.5) 2.68 5.48 -8.99 1 3 0 32 268.788 6

Activity (Go SEA)

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