UCSF

ZINC39853975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.37 8.37 -16.76 1 6 0 73 368.433 7
Hi High (pH 8-9.5) 4.37 9.49 -69.19 0 6 -1 76 367.425 7
Hi High (pH 8-9.5) 4.37 8.71 -62.64 0 6 -1 76 367.425 7

Activity (Go SEA)

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