UCSF

ZINC69930494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 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) 2.81 7.38 -12.69 0 5 0 57 256.309 5
Lo Low (pH 4.5-6) 2.81 7.86 -38.77 1 5 1 58 257.317 5

Activity (Go SEA)

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