UCSF

ZINC53114316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.04 3.61 -24.84 5 4 1 72 250.366 3
Mid Mid (pH 6-8) 2.04 3.54 -4.58 4 4 0 71 249.358 3

Activity (Go SEA)

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