UCSF

ZINC37116623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.07 3.14 -46.24 3 8 1 96 283.356 6
Lo Low (pH 4.5-6) 0.07 5.41 -129.05 4 8 2 97 284.364 6

Activity (Go SEA)

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