UCSF

ZINC19977644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 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) -1.06 0.25 -45.45 3 5 1 66 200.262 3
Mid Mid (pH 6-8) -1.06 -1.14 -5.66 2 5 0 61 199.254 3

Activity (Go SEA)

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