UCSF

ZINC39898311

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 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) 5.75 9.81 -14.6 2 8 0 97 528.049 13
Hi High (pH 8-9.5) 5.75 10.73 -40.29 1 8 -1 100 527.041 13

Activity (Go SEA)

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