UCSF

ZINC08706880

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 25 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) 1.98 1.16 -43.68 1 6 1 65 341.366 6
Lo Low (pH 4.5-6) 1.98 1.27 -100.44 2 6 2 66 342.374 6

Activity (Go SEA)

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