UCSF

ZINC28643334

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 32 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) 3.51 12.83 -50.71 2 6 1 61 429.544 9
Lo Low (pH 4.5-6) 3.51 13.23 -86.68 3 6 2 62 430.552 9

Activity (Go SEA)

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