UCSF

ZINC20463107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.05 10.99 -56.87 2 6 0 77 379.545 6
Lo Low (pH 4.5-6) 4.05 9.86 -40.4 3 6 1 74 380.553 6

Activity (Go SEA)

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