UCSF

ZINC13734360

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 2.75 7.51 -35.19 2 4 1 35 295.447 11
Mid Mid (pH 6-8) 2.75 6.74 -39.57 2 4 1 38 295.447 11

Activity (Go SEA)

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