UCSF

ZINC17138083

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 28 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) 1.98 6.01 -110.34 0 8 -2 124 378.34 5
Ref Reference (pH 7) 1.98 5.87 -113.11 0 8 -2 124 378.34 5
Lo Low (pH 4.5-6) 1.53 8.55 -50.7 1 8 -1 121 379.348 5

Activity (Go SEA)

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