UCSF

ZINC36615294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 2.17 5.5 -14.43 0 5 0 55 327.475 6
Lo Low (pH 4.5-6) 2.17 5.64 -32.62 1 5 1 56 328.483 6

Activity (Go SEA)

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