UCSF

ZINC39912365

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.42 10.32 -11.45 2 6 0 78 453.542 5
Hi High (pH 8-9.5) 5.19 11.08 -54.7 0 6 -1 77 452.534 5
Hi High (pH 8-9.5) 5.19 11.23 -55.23 0 6 -1 77 452.534 5
Hi High (pH 8-9.5) 5.42 11.17 -39.14 1 6 -1 81 452.534 5

Activity (Go SEA)

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