UCSF

ZINC37830549

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.32 8.6 -47.82 0 7 -1 106 277.256 5
Lo Low (pH 4.5-6) 1.32 7.49 -17.14 1 7 0 103 278.264 5

Activity (Go SEA)

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