UCSF

ZINC34350301

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 2.94 5.99 -7.13 1 3 0 34 282.265 6
Lo Low (pH 4.5-6) 2.94 6.46 -38.99 2 3 1 35 283.273 6

Activity (Go SEA)

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