UCSF

ZINC19977682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) -1.68 -0.69 -46.89 3 6 1 75 230.288 5
Mid Mid (pH 6-8) -1.68 -2.08 -6.71 2 6 0 71 229.28 5

Activity (Go SEA)

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