UCSF

ZINC50571524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 36 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) 4.55 13.63 -28.61 0 9 0 111 485.544 8
Lo Low (pH 4.5-6) 0.63 14.82 -39.8 1 9 1 110 486.552 9

Activity (Go SEA)

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