UCSF

ZINC16789796

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 35 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) 5.96 11.4 -16.8 1 5 0 54 524.008 7
Lo Low (pH 4.5-6) 5.96 13.8 -57.11 2 5 1 56 525.016 7

Activity (Go SEA)

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