UCSF

ZINC39912709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 5.19 10.21 -10.77 2 6 0 78 453.97 7
Hi High (pH 8-9.5) 4.96 10.05 -54.03 0 6 -1 77 452.962 7
Hi High (pH 8-9.5) 4.96 10.01 -52.95 0 6 -1 77 452.962 7
Hi High (pH 8-9.5) 5.19 11.02 -45.55 1 6 -1 81 452.962 7

Activity (Go SEA)

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