UCSF

ZINC20873160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 2.73 6.03 -44.15 3 6 1 67 443.406 10
Lo Low (pH 4.5-6) 2.73 8.37 -108.11 4 6 2 69 444.414 10

Activity (Go SEA)

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