UCSF

ZINC30704269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 33 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) 3.37 8.73 -13.1 1 7 0 73 442.519 7
Lo Low (pH 4.5-6) 3.37 10.67 -49.51 2 7 1 74 443.527 7

Activity (Go SEA)

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