UCSF

ZINC19809831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 6.07 12.39 -17.17 1 4 0 55 408.91 4
Hi High (pH 8-9.5) 6.14 11.42 -47.62 0 4 -1 61 407.902 4

Activity (Go SEA)

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