UCSF

ZINC38216496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 36 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) 6.15 10.21 -47.05 0 7 -1 93 568.831 6
Lo Low (pH 4.5-6) 5.69 12.86 -12.02 1 7 0 90 569.839 6

Activity (Go SEA)

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