UCSF

ZINC13777168

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 26 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) 3.69 4.86 -43.37 1 6 -1 83 369.422 6
Lo Low (pH 4.5-6) 3.69 5.39 -18.49 2 6 0 81 370.43 6

Activity (Go SEA)

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