UCSF

ZINC17112202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 29 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) 1.29 2.99 -58.38 2 9 -1 129 392.395 5
Ref Reference (pH 7) 1.29 3.03 -57.78 2 9 -1 129 392.395 5
Lo Low (pH 4.5-6) 0.83 5.54 -18.25 3 9 0 126 393.403 5

Activity (Go SEA)

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