UCSF

ZINC05478404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 22 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) 2.24 8.09 -115 1 6 -2 109 299.282 4
Lo Low (pH 4.5-6) 2.24 6.39 -77.73 2 6 -1 107 300.29 4

Activity (Go SEA)

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