UCSF

ZINC39911519

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 4.54 8.17 -12.36 3 7 0 99 469.541 7
Hi High (pH 8-9.5) 4.31 7.96 -59.1 1 7 -1 98 468.533 7
Hi High (pH 8-9.5) 4.31 8.75 -58.54 1 7 -1 98 468.533 7
Hi High (pH 8-9.5) 4.54 8.98 -52.41 2 7 -1 102 468.533 7

Activity (Go SEA)

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