UCSF

ZINC36326588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.54 4.29 -6.93 1 4 0 42 274.364 2
Lo Low (pH 4.5-6) 1.54 5.52 -40.62 2 4 1 46 275.372 2

Activity (Go SEA)

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