UCSF

ZINC36155957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 36 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) 2.86 7.67 -13.34 2 7 0 82 504.656 10
Lo Low (pH 4.5-6) 2.86 9.74 -53.73 3 7 1 83 505.664 10

Activity (Go SEA)

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