UCSF

ZINC19830950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 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) 5.08 10.2 -11.5 0 5 0 47 399.494 3
Lo Low (pH 4.5-6) 5.08 11.92 -46.73 1 5 1 48 400.502 3

Activity (Go SEA)

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