UCSF

ZINC19288089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 24 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) 3.00 5.98 -45.74 3 4 1 45 389.317 4
Lo Low (pH 4.5-6) 3.00 8.24 -129.24 4 4 2 46 390.325 4

Activity (Go SEA)

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