UCSF

ZINC13990037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 4.50 11.68 -6.69 0 2 0 16 370.418 8
Lo Low (pH 4.5-6) 4.50 13.54 -108.72 2 2 2 19 372.434 8
Lo Low (pH 4.5-6) 4.50 12.12 -37.66 1 2 1 17 371.426 8

Activity (Go SEA)

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