UCSF

ZINC36354599

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 Yes

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) 2.77 8.37 -55.55 1 6 -1 91 350.329 3
Ref Reference (pH 7) 2.58 11.02 -57.01 1 6 -1 87 350.329 3
Lo Low (pH 4.5-6) 2.58 11.48 -81.39 2 6 0 88 351.337 3

Activity (Go SEA)

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