UCSF

ZINC36766133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 Yes

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) 4.92 8.2 -6.53 3 3 0 55 393.082 2
Lo Low (pH 4.5-6) 4.92 8.37 -34.39 4 3 1 56 394.09 2

Activity (Go SEA)

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