UCSF

ZINC34687219

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.19 9.55 -13.77 0 5 0 42 454.464 9
Lo Low (pH 4.5-6) 3.19 11.82 -55.91 1 5 1 43 455.472 9

Activity (Go SEA)

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