UCSF

ZINC51342067

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 20 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) 1.69 1.42 -64.03 3 6 0 94 299.396 6
Lo Low (pH 4.5-6) 1.69 1.26 -48.15 4 6 1 92 300.404 6

Activity (Go SEA)

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