UCSF

ZINC20114647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 1.80 9.03 -19.88 1 9 0 120 456.505 7
Mid Mid (pH 6-8) 1.80 8.92 -121.5 3 9 2 123 458.521 7

Activity (Go SEA)

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