UCSF

ZINC23550028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 13 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) 2.10 5.57 -33.82 1 2 1 14 184.303 1
Mid Mid (pH 6-8) 2.10 3.28 -1.73 0 2 0 12 183.295 1

Activity (Go SEA)

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