UCSF

ZINC28472194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 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) 4.62 12.09 -48.13 2 5 1 50 449.663 6
Lo Low (pH 4.5-6) 4.62 14.11 -123.02 3 5 2 51 450.671 6
Lo Low (pH 4.5-6) 4.62 11.9 -46.4 2 5 1 50 449.663 6

Activity (Go SEA)

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