UCSF

ZINC62321904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 23 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) 1.68 5.25 -37.37 2 7 1 82 322.385 10
Hi High (pH 8-9.5) 1.68 3.05 -8.93 1 7 0 81 321.377 10

Activity (Go SEA)

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