UCSF

ZINC28240579

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 34 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) 5.94 12.57 -11.77 1 4 0 51 466.968 6
Lo Low (pH 4.5-6) 5.94 13.32 -34.21 2 4 1 52 467.976 6

Activity (Go SEA)

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