UCSF

ZINC36222235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.25 6.7 -10.81 2 5 0 62 303.749 3
Lo Low (pH 4.5-6) 3.25 7.01 -25.6 3 5 1 63 304.757 3

Activity (Go SEA)

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