UCSF

ZINC35732804

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 3.12 9.99 -112.54 3 2 2 21 260.425 5
Mid Mid (pH 6-8) 3.12 7.78 -36.21 2 2 1 20 259.417 5
Mid Mid (pH 6-8) 3.12 8.99 -35.32 2 2 1 16 259.417 5

Activity (Go SEA)

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