UCSF

ZINC11999696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 25 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) 2.98 6.23 -19.47 0 5 0 67 400.953 3
Lo Low (pH 4.5-6) 2.98 6.08 -47.96 1 5 1 68 401.961 3

Activity (Go SEA)

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