UCSF

ZINC34956090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.26 4.09 -12.03 1 5 0 68 268.272 3
Lo Low (pH 4.5-6) 3.06 5.69 -65.07 2 5 1 69 269.28 2

Activity (Go SEA)

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