UCSF

ZINC09170157

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.20 9.86 -16.38 1 3 0 46 342.489 4
Hi High (pH 8-9.5) 5.66 8.49 -49.49 0 3 -1 49 341.481 4

Activity (Go SEA)

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