UCSF

ZINC13569704

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 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) 2.09 6.35 -55.12 0 7 -1 84 400.411 3
Lo Low (pH 4.5-6) 1.63 7.42 -16.39 1 7 0 80 401.419 3

Activity (Go SEA)

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