UCSF

ZINC69147214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 26 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) 2.71 8.15 -12.91 0 5 0 36 353.466 6
Lo Low (pH 4.5-6) 2.71 10.31 -42.88 1 5 1 37 354.474 6

Activity (Go SEA)

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