UCSF

ZINC36325853

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) 2.61 5.04 -46 3 3 1 40 277.432 6
Lo Low (pH 4.5-6) 2.61 6.44 -122.21 4 3 2 41 278.44 6

Activity (Go SEA)

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