UCSF

ZINC16478855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 38 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) 6.57 15.23 -15.92 0 5 0 50 500.646 7
Lo Low (pH 4.5-6) 6.57 17.97 -87.77 2 5 2 53 502.662 7

Activity (Go SEA)

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