UCSF

ZINC05794953

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 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 10.73 -9.27 1 3 0 32 310.441 6
Lo Low (pH 4.5-6) 5.20 10.78 -30.41 2 3 0 34 311.449 6

Activity (Go SEA)

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