UCSF

ZINC33698050

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 4.12 10.98 -37.67 0 5 -1 73 476.35 5
Lo Low (pH 4.5-6) 4.12 9.85 -16.59 1 5 0 71 477.358 5
Lo Low (pH 4.5-6) 4.12 10.29 -47.5 2 5 1 72 478.366 5

Activity (Go SEA)

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