UCSF

ZINC31868941

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) 1.48 6.73 -54.76 3 6 1 71 322.458 8
Hi High (pH 8-9.5) 1.48 4.2 -19.46 2 6 0 70 321.45 8

Activity (Go SEA)

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