UCSF

ZINC33698343

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) 4.25 12.33 -54.89 0 6 -1 83 455.534 8
Lo Low (pH 4.5-6) 4.25 11.03 -18.15 1 6 0 80 456.542 8
Lo Low (pH 4.5-6) 4.25 11.48 -50.37 2 6 1 81 457.55 8

Activity (Go SEA)

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