UCSF

ZINC33698304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 5.02 12.68 -41.24 0 5 -1 73 453.562 6
Lo Low (pH 4.5-6) 5.02 11.55 -16.26 1 5 0 71 454.57 6
Lo Low (pH 4.5-6) 5.02 12 -50.01 2 5 1 72 455.578 6

Activity (Go SEA)

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