UCSF

ZINC33756868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 5.42 13.85 -50.9 1 6 0 74 529.475 12
Hi High (pH 8-9.5) 5.42 11.54 -39.56 0 6 -1 73 528.467 12
Lo Low (pH 4.5-6) 5.42 12.72 -54.47 2 6 1 71 530.483 12

Activity (Go SEA)

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