UCSF

ZINC20200269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.24 7.53 -94.21 3 3 2 24 269.477 4
Mid Mid (pH 6-8) 3.24 7.01 -117.47 3 3 2 24 269.477 4
Mid Mid (pH 6-8) 3.24 5.06 -36.79 2 3 1 23 268.469 4

Activity (Go SEA)

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