UCSF

ZINC31867103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.70 8.71 -45.78 2 5 1 59 353.537 9
Hi High (pH 8-9.5) 2.70 6.49 -11.95 1 5 0 58 352.529 9

Activity (Go SEA)

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