UCSF

ZINC20227640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 1.92 8.63 -71.77 1 6 0 78 385.851 6
Hi High (pH 8-9.5) 1.92 6.09 -57.28 0 6 -1 77 384.843 6
Lo Low (pH 4.5-6) 1.92 7.8 -51.5 2 6 1 75 386.859 6

Activity (Go SEA)

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