UCSF

ZINC33777755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 5.66 14.31 -14.36 0 6 0 53 511.666 7
Lo Low (pH 4.5-6) 5.66 16.04 -52.62 1 6 1 54 512.674 7

Activity (Go SEA)

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