UCSF

ZINC00340388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 15 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) 2.57 7.48 -38.37 2 2 1 20 201.293 0
Mid Mid (pH 6-8) 2.57 5.09 -5.55 1 2 0 19 200.285 0

Activity (Go SEA)

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