UCSF

ZINC31897794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.19 11.08 -48.28 1 4 1 39 322.498 6
Hi High (pH 8-9.5) 3.19 8.79 -10.65 0 4 0 38 321.49 6

Activity (Go SEA)

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