UCSF

ZINC20245039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -0.09 2.55 -85.75 2 6 0 91 276.358 6
Mid Mid (pH 6-8) -0.09 2.24 -98.38 1 6 -1 93 275.35 6

Activity (Go SEA)

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