UCSF

ZINC33777056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 4.66 12.67 -43.38 0 8 -1 109 505.572 9
Lo Low (pH 4.5-6) 4.66 11.54 -18.31 1 8 0 106 506.58 9

Activity (Go SEA)

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