UCSF

ZINC34687910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 No

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) 6.25 12.64 -10 1 4 0 47 450.369 6
Lo Low (pH 4.5-6) 6.25 13.22 -28.82 2 4 1 48 451.377 6

Activity (Go SEA)

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