UCSF

ZINC20838455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 2.98 8.76 -21.26 1 7 0 86 374.495 6
Hi High (pH 8-9.5) 3.17 7.69 -47.56 0 7 -1 92 373.487 6

Activity (Go SEA)

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